
     Program PWSCF v.7.1 starts on 21Sep2022 at 17:38:46 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on    10 processors

     MPI processes distributed on     1 nodes
     54354 MiB available memory on the printing compute node when the environment starts

     Waiting for input...
     Reading input from standard input
     Message from routine  control_checkin    :
      isave not used in PW 

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  4

     gamma-point specific algorithms are used

     R & G space division:  proc/nbgrp/npool/nimage =      10
     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used


     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          40      40      9                  616      616      72
     Max          42      42     12                  622      622      78
     Sum         405     405    101                 6187     6187     751

     Using Slab Decomposition


     Title: 
     SiH4                                                                       


     bravais-lattice index     =            0
     lattice parameter (alat)  =       8.0000  a.u.
     unit-cell volume          =     512.0000 (a.u.)^3
     number of atoms/cell      =            5
     number of atomic types    =            2
     number of electrons       =         8.00
     number of Kohn-Sham states=            4
     kinetic-energy cutoff     =      20.0000  Ry
     charge density cutoff     =      80.0000  Ry
     scf convergence threshold =      1.0E-07
     mixing beta               =       0.4000
     number of iterations used =            8  plain     mixing
     energy convergence thresh.=      0.0E+00
     force convergence thresh. =      0.0E+00
     Exchange-correlation= SLA-PW-PBX-PBC
                           (   1   4   3   4   0   0   0)
     nstep                     =          500


     celldm(1)=   8.000000  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.000000   0.000000   0.000000 )  
               a(2) = (   0.000000   1.000000   0.000000 )  
               a(3) = (   0.000000   0.000000   1.000000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.000000  0.000000  0.000000 )  
               b(2) = (  0.000000  1.000000  0.000000 )  
               b(3) = (  0.000000  0.000000  1.000000 )  


     PseudoPot. # 1 for Si read from file:
     /home/pizza/codes/QEdev/q-e/pseudo/Si.pbe-hgh.UPF
     MD5 check sum: 644c0713ebe098a80395b411a455088e
     Pseudo is Norm-conserving, Zval =  4.0
     Generated in analytical, separable form
     Using radial grid of 1141 points,  3 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1

     PseudoPot. # 2 for H  read from file:
     /home/pizza/codes/QEdev/q-e/pseudo/H.pbe-hgh.UPF
     MD5 check sum: 50ae4f52d34cf16cdfed4bce9c5a191e
     Pseudo is Norm-conserving, Zval =  1.0
     Generated in analytical, separable form
     Using radial grid of  929 points,  0 beta functions with: 

     atomic species   valence    mass     pseudopotential
        Si             4.00    28.08600     Si( 1.00)
        H              1.00     1.00000     H ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Si  tau(   1) = (   1.1810788   1.1810788   1.1812500  )
         2           H   tau(   2) = (   1.3992171   1.3992171   1.3875000  )
         3           H   tau(   3) = (   1.1810788   1.1810788   0.8250000  )
         4           H   tau(   4) = (   0.8831109   1.2610727   1.3875000  )
         5           H   tau(   5) = (   1.2610727   0.8831109   1.3875000  )

     number of k points=     1
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000

     Dense  grid:     3094 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.52 MB

     Estimated total dynamical RAM >       5.20 MB

     Initial potential from superposition of free atoms

     starting charge       7.9994, renormalised to       8.0000
     Starting wfcs are    8 randomized atomic wfcs

   External force field information
   --------------------------------
     2 external force field(s):
           1 : Repulsive planar (Fix indent lammps style) potential
             axis = 3  dir = 0 pos =   5.0000 inc =   0.0050 Strength =    10.0000
           2 : Repulsive planar (Fix indent lammps style) potential
             axis = 3  dir = 1 pos =  11.3000 inc =  -0.0050 Strength =    10.0000

     total cpu time spent up to now is        0.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-02,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.14434416 Ry
     estimated scf accuracy    <       0.24310909 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.04E-03,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.12473457 Ry
     estimated scf accuracy    <       0.07353773 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.19E-04,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13237601 Ry
     estimated scf accuracy    <       0.00284122 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.55E-05,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13254760 Ry
     estimated scf accuracy    <       0.00060476 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.56E-06,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13271254 Ry
     estimated scf accuracy    <       0.00024555 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.07E-06,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13269453 Ry
     estimated scf accuracy    <       0.00005496 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.87E-07,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13272379 Ry
     estimated scf accuracy    <       0.00004258 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.32E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13271290 Ry
     estimated scf accuracy    <       0.00002266 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.83E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

     total energy              =     -12.13271732 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration # 10     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.06E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

          k = 0.0000 0.0000 0.0000     band energies (ev):

    -9.9117  -4.2218  -2.9574  -2.6312

     highest occupied level (ev):    -2.6312

     total energy              =     -12.13271732 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration # 11     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.06E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9122  -4.2219  -2.9583  -2.6320

     highest occupied level (ev):    -2.6320

!    total energy              =     -12.13271728 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in  11 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02662205   -0.02662371    0.09768659
     atom    2 type  2   force =    -0.00550523   -0.00550422   -0.06124528
     atom    3 type  2   force =     0.00297741    0.00297781    0.08679703
     atom    4 type  2   force =     0.03814079   -0.00899073   -0.06161955
     atom    5 type  2   force =    -0.00899093    0.03814086   -0.06161879

     Total force =     0.181627     Total SCF correction =     0.000196

     Molecular Dynamics Calculation

     Starting temperature  =   300.00 K

     temperature is controlled by velocity rescaling (rescaling)

     mass Si               =    28.09
     mass H                =     1.00
     Time step             =     3.00 a.u.,  0.1451 femto-seconds

     Entering Dynamics:    iteration =     1
                           time      =   0.0001 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4486820185        9.4489154263        9.4499956146
H            11.2007595414       11.1884773651       11.1045914947
H             9.4456021133        9.4470346831        6.6014495686
H             7.0630402818       10.0848463566       11.1024517468
H            10.0849919478        7.0674802067       11.0916303590


     kinetic energy (Ekin) =           0.01140052 Ry
     temperature           =         300.00000000 K 
     Ekin + Etot (const)   =         -12.12131676 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13297492 Ry
     estimated scf accuracy    <       0.00001103 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13297606 Ry
     estimated scf accuracy    <       0.00000349 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13297659 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9133  -4.2245  -2.9591  -2.6339

     highest occupied level (ev):    -2.6339

!    total energy              =     -12.13297670 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02680635   -0.02580964    0.09801515
     atom    2 type  2   force =    -0.00627397   -0.00551269   -0.06158759
     atom    3 type  2   force =     0.00299877    0.00324384    0.08610434
     atom    4 type  2   force =     0.03867797   -0.00865288   -0.06183450
     atom    5 type  2   force =    -0.00859641    0.03673136   -0.06069739

     Total force =     0.181079     Total SCF correction =     0.000128

     Entering Dynamics:    iteration =     2
                           time      =   0.0003 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487239481        9.4491911140        9.4500256892
H            11.2077205674       11.1831635967       11.1085748465
H             9.4426031732        9.4454707329        6.6037493692
H             7.0615753483       10.0810254802       11.1042929126
H            10.0813171617        7.0704358359       11.0826613653


     kinetic energy (Ekin) =           0.01165908 Ry
     temperature           =         306.80374180 K 
     Ekin + Etot (const)   =         -12.12131762 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13342930 Ry
     estimated scf accuracy    <       0.00001133 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13343051 Ry
     estimated scf accuracy    <       0.00000351 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.38E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13343109 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.16E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9154  -4.2289  -2.9611  -2.6365

     highest occupied level (ev):    -2.6365

!    total energy              =     -12.13343120 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02692802   -0.02489608    0.09835372
     atom    2 type  2   force =    -0.00695881   -0.00548351   -0.06182173
     atom    3 type  2   force =     0.00299791    0.00350684    0.08508146
     atom    4 type  2   force =     0.03906235   -0.00828807   -0.06191759
     atom    5 type  2   force =    -0.00817342    0.03516081   -0.05969586

     Total force =     0.180205     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =     3
                           time      =   0.0004 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487564103        9.4494580488        9.4500903429
H            11.2146128791       11.1777956817       11.1119477433
H             9.4396338358        9.4439414108        6.6068893014
H             7.0604961336       10.0771227638       11.1055226769
H            10.0775616677        7.0737386583       11.0731029086


     kinetic energy (Ekin) =           0.01211189 Ry
     temperature           =         318.71941628 K 
     Ekin + Etot (const)   =         -12.12131930 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13407180 Ry
     estimated scf accuracy    <       0.00001208 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13407305 Ry
     estimated scf accuracy    <       0.00000368 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13407370 Ry
     estimated scf accuracy    <       0.00000041 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.07E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9183  -4.2348  -2.9643  -2.6401

     highest occupied level (ev):    -2.6401

!    total energy              =     -12.13407380 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02698894   -0.02387662    0.09872607
     atom    2 type  2   force =    -0.00759508   -0.00540681   -0.06197444
     atom    3 type  2   force =     0.00299164    0.00376869    0.08368913
     atom    4 type  2   force =     0.03929662   -0.00789038   -0.06188295
     atom    5 type  2   force =    -0.00770424    0.03340512   -0.05855782

     Total force =     0.178998     Total SCF correction =     0.000125

     Entering Dynamics:    iteration =     4
                           time      =   0.0006 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487793838        9.4497165891        9.4501897065
H            11.2214301937       11.1723743775       11.1147086775
H             9.4366940393        9.4424493023        6.6108556169
H             7.0598049509       10.0731421344       11.1061413819
H            10.0737300987        7.0773713375       11.0629662263


     kinetic energy (Ekin) =           0.01275249 Ry
     temperature           =         335.57642940 K 
     Ekin + Etot (const)   =         -12.12132131 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13489298 Ry
     estimated scf accuracy    <       0.00001346 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.68E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13489430 Ry
     estimated scf accuracy    <       0.00000385 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     total energy              =     -12.13489498 Ry
     estimated scf accuracy    <       0.00000043 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9223  -4.2425  -2.9693  -2.6447

     highest occupied level (ev):    -2.6447

!    total energy              =     -12.13489513 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02698984   -0.02274169    0.09912936
     atom    2 type  2   force =    -0.00818024   -0.00528739   -0.06204972
     atom    3 type  2   force =     0.00297422    0.00400673    0.08195044
     atom    4 type  2   force =     0.03938484   -0.00746349   -0.06173346
     atom    5 type  2   force =    -0.00718898    0.03148583   -0.05729662

     Total force =     0.177488     Total SCF correction =     0.000142

     Entering Dynamics:    iteration =     5
                           time      =   0.0007 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487928683        9.4499671339        9.4503239220
H            11.2281667330       11.1669008633       11.1168569054
H             9.4337836114        9.4409967581        6.6156311469
H             7.0595026713       10.0690878072       11.1061505036
H            10.0698275424        7.0813149216       11.0522637722


     kinetic energy (Ekin) =           0.01357161 Ry
     temperature           =         357.13130487 K 
     Ekin + Etot (const)   =         -12.12132352 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13588120 Ry
     estimated scf accuracy    <       0.00001394 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.74E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13588268 Ry
     estimated scf accuracy    <       0.00000396 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13588339 Ry
     estimated scf accuracy    <       0.00000048 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.00E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9272  -4.2515  -2.9753  -2.6503

     highest occupied level (ev):    -2.6503

!    total energy              =     -12.13588356 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02693169   -0.02149616    0.09956738
     atom    2 type  2   force =    -0.00872187   -0.00511649   -0.06204953
     atom    3 type  2   force =     0.00294850    0.00424924    0.07984186
     atom    4 type  2   force =     0.03932936   -0.00700113   -0.06146918
     atom    5 type  2   force =    -0.00662431    0.02936454   -0.05589053

     Total force =     0.175668     Total SCF correction =     0.000144

     Entering Dynamics:    iteration =     6
                           time      =   0.0009 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487968841        9.4502101212        9.4504931431
H            11.2348171487       11.1613768266       11.1183924292
H             9.4309022984        9.4395861727        6.6211950704
H             7.0595887472       10.0649643478       11.1055526518
H            10.0658595749        7.0855484640       11.0410094303


     kinetic energy (Ekin) =           0.01455766 Ry
     temperature           =         383.07866538 K 
     Ekin + Etot (const)   =         -12.12132590 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13702267 Ry
     estimated scf accuracy    <       0.00001524 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.90E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13702428 Ry
     estimated scf accuracy    <       0.00000422 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.28E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13702507 Ry
     estimated scf accuracy    <       0.00000055 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.89E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13702526 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9328  -4.2617  -2.9825  -2.6564

     highest occupied level (ev):    -2.6564

!    total energy              =     -12.13702527 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02681750   -0.02011960    0.10003716
     atom    2 type  2   force =    -0.00918402   -0.00492519   -0.06196453
     atom    3 type  2   force =     0.00289699    0.00448571    0.07742935
     atom    4 type  2   force =     0.03913794   -0.00652323   -0.06108855
     atom    5 type  2   force =    -0.00603342    0.02708232   -0.05441342

     Total force =     0.173609     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =     7
                           time      =   0.0010 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487914715        9.4504460348        9.4506975353
H            11.2413768775       11.1558041564       11.1193160880
H             9.4280495915        9.4382198812        6.6275235652
H             7.0600612882       10.0607764752       11.1043515848
H            10.0618320307        7.0900494292       11.0292177865


     kinetic energy (Ekin) =           0.01569757 Ry
     temperature           =         413.07509037 K 
     Ekin + Etot (const)   =         -12.12132770 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13830173 Ry
     estimated scf accuracy    <       0.00001632 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13830349 Ry
     estimated scf accuracy    <       0.00000450 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13830431 Ry
     estimated scf accuracy    <       0.00000058 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.23E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13830451 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9395  -4.2735  -2.9912  -2.6639

     highest occupied level (ev):    -2.6639

!    total energy              =     -12.13830452 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02664384   -0.01862000    0.10053839
     atom    2 type  2   force =    -0.00963171   -0.00466622   -0.06181723
     atom    3 type  2   force =     0.00285277    0.00471451    0.07461247
     atom    4 type  2   force =     0.03879354   -0.00600090   -0.06059910
     atom    5 type  2   force =    -0.00537076    0.02457261   -0.05273452

     Total force =     0.171244     Total SCF correction =     0.000070

     Entering Dynamics:    iteration =     8
                           time      =   0.0012 pico-seconds


     Velocity rescaling: T ( 413.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4487774914        9.4506405361        9.4509070672
H            11.2468720297       11.1510090004       11.1194928279
H             9.4256466585        9.4371020683        6.6336535217
H             7.0608470564       10.0571482769       11.1027296426
H            10.0583466879        7.0941278329       11.0186481176


     kinetic energy (Ekin) =           0.01241377 Ry
     temperature           =         326.66313056 K 
     Ekin + Etot (const)   =         -12.12589075 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13952542 Ry
     estimated scf accuracy    <       0.00001313 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13952684 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     total energy              =     -12.13952750 Ry
     estimated scf accuracy    <       0.00000047 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.90E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9462  -4.2851  -3.0002  -2.6719

     highest occupied level (ev):    -2.6719

!    total energy              =     -12.13952767 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02643279   -0.01723058    0.10099463
     atom    2 type  2   force =    -0.00999127   -0.00438018   -0.06161924
     atom    3 type  2   force =     0.00282078    0.00490238    0.07180241
     atom    4 type  2   force =     0.03834182   -0.00551176   -0.06006601
     atom    5 type  2   force =    -0.00473854    0.02222014   -0.05111179

     Total force =     0.168926     Total SCF correction =     0.000137

     Entering Dynamics:    iteration =     9
                           time      =   0.0013 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487542181        9.4508289795        9.4511521067
H            11.2522685237       11.1461705925       11.1190611125
H             9.4232715791        9.4360326637        6.6404924867
H             7.0620114286       10.0534656531       11.1005145822
H            10.0548145548        7.0984256481       11.0075737484


     kinetic energy (Ekin) =           0.01363508 Ry
     temperature           =         358.80151804 K 
     Ekin + Etot (const)   =         -12.12589258 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14086830 Ry
     estimated scf accuracy    <       0.00001502 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.88E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14086990 Ry
     estimated scf accuracy    <       0.00000381 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14087067 Ry
     estimated scf accuracy    <       0.00000055 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.89E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14087087 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9534  -4.2975  -3.0096  -2.6799

     highest occupied level (ev):    -2.6799

!    total energy              =     -12.14087087 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02616747   -0.01571105    0.10148064
     atom    2 type  2   force =    -0.01024761   -0.00409556   -0.06134416
     atom    3 type  2   force =     0.00274985    0.00508339    0.06877220
     atom    4 type  2   force =     0.03776698   -0.00502187   -0.05942561
     atom    5 type  2   force =    -0.00410174    0.01974509   -0.04948307

     Total force =     0.166481     Total SCF correction =     0.000068

     Entering Dynamics:    iteration =    10
                           time      =   0.0015 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4487217449        9.4510118992        9.4514328247
H            11.2575638283       11.1412917433       11.1180236578
H             9.4209236529        9.4350134547        6.6480105386
H             7.0635487284       10.0497334411       11.0977127274
H            10.0512419192        7.1029184349       10.9960107617


     kinetic energy (Ekin) =           0.01497637 Ry
     temperature           =         394.09694748 K 
     Ekin + Etot (const)   =         -12.12589450 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14231339 Ry
     estimated scf accuracy    <       0.00001622 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14231515 Ry
     estimated scf accuracy    <       0.00000410 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14231596 Ry
     estimated scf accuracy    <       0.00000058 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.29E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14231616 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9618  -4.3113  -3.0206  -2.6894

     highest occupied level (ev):    -2.6894

!    total energy              =     -12.14231617 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02583802   -0.01407695    0.10199325
     atom    2 type  2   force =    -0.01048326   -0.00374689   -0.06099916
     atom    3 type  2   force =     0.00268567    0.00525751    0.06533889
     atom    4 type  2   force =     0.03703274   -0.00448913   -0.05866981
     atom    5 type  2   force =    -0.00339712    0.01705546   -0.04766316

     Total force =     0.163784     Total SCF correction =     0.000070

     Entering Dynamics:    iteration =    11
                           time      =   0.0016 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4486801876        9.4511898697        9.4517494013
H            11.2627556165       11.1363758956       11.1163838708
H             9.4186022462        9.4340461607        6.6561737752
H             7.0654517057       10.0459569015       11.0943315411
H            10.0476357390        7.1075796347       10.9839771281


     kinetic energy (Ekin) =           0.01642049 Ry
     temperature           =         432.09827338 K 
     Ekin + Etot (const)   =         -12.12589568 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14384113 Ry
     estimated scf accuracy    <       0.00001796 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.24E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14384309 Ry
     estimated scf accuracy    <       0.00000442 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.53E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14384399 Ry
     estimated scf accuracy    <       0.00000064 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.03E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14384420 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9709  -4.3262  -3.0327  -2.7000

     highest occupied level (ev):    -2.7000

!    total energy              =     -12.14384421 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02544487   -0.01232132    0.10253035
     atom    2 type  2   force =    -0.01067092   -0.00335625   -0.06058469
     atom    3 type  2   force =     0.00261223    0.00542507    0.06157615
     atom    4 type  2   force =     0.03615035   -0.00392813   -0.05780324
     atom    5 type  2   force =    -0.00264678    0.01418062   -0.04571858

     Total force =     0.160926     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =    12
                           time      =   0.0017 pico-seconds


     Velocity rescaling: T ( 432.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4486366146        9.4513338298        9.4520492326
H            11.2669762453       11.1322466807       11.1144192973
H             9.4166937548        9.4332937435        6.6635837287
H             7.0673943042       10.0427713550       11.0909434318
H            10.0446047951        7.1116035519       10.9734987952


     kinetic energy (Ekin) =           0.01256961 Ry
     temperature           =         330.76400032 K 
     Ekin + Etot (const)   =         -12.13127461 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14519734 Ry
     estimated scf accuracy    <       0.00001382 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14519886 Ry
     estimated scf accuracy    <       0.00000334 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14519955 Ry
     estimated scf accuracy    <       0.00000049 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.18E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.5 secs

     total energy              =     -12.14519970 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9794  -4.3397  -3.0439  -2.7099

     highest occupied level (ev):    -2.7099

!    total energy              =     -12.14519972 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02504205   -0.01074722    0.10299983
     atom    2 type  2   force =    -0.01077793   -0.00299457   -0.06016767
     atom    3 type  2   force =     0.00253959    0.00555658    0.05811960
     atom    4 type  2   force =     0.03526330   -0.00343524   -0.05696774
     atom    5 type  2   force =    -0.00198292    0.01162045   -0.04398402

     Total force =     0.158386     Total SCF correction =     0.000087

     Entering Dynamics:    iteration =    13
                           time      =   0.0019 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4485842373        9.4514740113        9.4523852765
H            11.2710904481       11.1280878962       11.1118606017
H             9.4148103405        9.4325961945        6.6715675806
H             7.0696851080       10.0395518875       11.0869927980
H            10.0415542709        7.1157422145       10.9625861448


     kinetic energy (Ekin) =           0.01392411 Ry
     temperature           =         366.40715303 K 
     Ekin + Etot (const)   =         -12.13127561 Ry

     Linear momentum :   -0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14662279 Ry
     estimated scf accuracy    <       0.00001540 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.92E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14662448 Ry
     estimated scf accuracy    <       0.00000363 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.54E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14662526 Ry
     estimated scf accuracy    <       0.00000055 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.88E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14662542 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9886  -4.3541  -3.0560  -2.7209

     highest occupied level (ev):    -2.7209

!    total energy              =     -12.14662544 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02458780   -0.00908226    0.10348381
     atom    2 type  2   force =    -0.01082854   -0.00259114   -0.05968142
     atom    3 type  2   force =     0.00246162    0.00568352    0.05435642
     atom    4 type  2   force =     0.03423018   -0.00291424   -0.05602236
     atom    5 type  2   force =    -0.00127546    0.00890412   -0.04213646

     Total force =     0.155724     Total SCF correction =     0.000097

     Entering Dynamics:    iteration =    14
                           time      =   0.0020 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4485232155        9.4516109997        9.4527577030
H            11.2750977252       11.1239035256       11.1087125857
H             9.4129512334        9.4319547670        6.6800881717
H             7.0723139156       10.0363036435       11.0824889749
H            10.0384911523        7.1199688002       10.9512574205


     kinetic energy (Ekin) =           0.01534884 Ry
     temperature           =         403.89846132 K 
     Ekin + Etot (const)   =         -12.13127660 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14810009 Ry
     estimated scf accuracy    <       0.00001704 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.13E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14810197 Ry
     estimated scf accuracy    <       0.00000394 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14810283 Ry
     estimated scf accuracy    <       0.00000061 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.61E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14810300 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.99E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

    -9.9987  -4.3693  -3.0691  -2.7330

     highest occupied level (ev):    -2.7330

!    total energy              =     -12.14810302 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02406124   -0.00732993    0.10397726
     atom    2 type  2   force =    -0.01083103   -0.00214763   -0.05912559
     atom    3 type  2   force =     0.00237480    0.00580561    0.05029616
     atom    4 type  2   force =     0.03304753   -0.00236339   -0.05496427
     atom    5 type  2   force =    -0.00053006    0.00603534   -0.04018355

     Total force =     0.152974     Total SCF correction =     0.000113

     Entering Dynamics:    iteration =    15
                           time      =   0.0022 pico-seconds


     Velocity rescaling: T ( 403.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4484621653        9.4517264842        9.4531152297
H            11.2784443896       11.1202760786       11.1054156809
H             9.4113724381        9.4314592890        6.6879281685
H             7.0749058419       10.0334808534       11.0780646776
H            10.0358460130        7.1236710187       10.9410971304


     kinetic energy (Ekin) =           0.01258672 Ry
     temperature           =         331.21429358 K 
     Ekin + Etot (const)   =         -12.13551630 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14942436 Ry
     estimated scf accuracy    <       0.00001340 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14942594 Ry
     estimated scf accuracy    <       0.00000330 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14942676 Ry
     estimated scf accuracy    <       0.00000061 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.57E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14942677 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.67E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.6 secs

     total energy              =     -12.14942687 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.93E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0081  -4.3833  -3.0814  -2.7445

     highest occupied level (ev):    -2.7445

!    total energy              =     -12.14942683 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   6 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02354223   -0.00576237    0.10437965
     atom    2 type  2   force =    -0.01078246   -0.00172577   -0.05857225
     atom    3 type  2   force =     0.00229262    0.00590975    0.04653302
     atom    4 type  2   force =     0.03188408   -0.00185624   -0.05393714
     atom    5 type  2   force =     0.00014799    0.00343464   -0.03840328

     Total force =     0.150512     Total SCF correction =     0.000149

     Entering Dynamics:    iteration =    16
                           time      =   0.0023 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4483928381        9.4518399427        9.4535094541
H            11.2816845833       11.1166315906       11.1015404080
H             9.4098162811        9.4310221664        6.6962276526
H             7.0778126055       10.0306397339       11.0731077814
H            10.0332023351        7.1274071523       10.9305576295


     kinetic energy (Ekin) =           0.01390983 Ry
     temperature           =         366.03152918 K 
     Ekin + Etot (const)   =         -12.13551699 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15078694 Ry
     estimated scf accuracy    <       0.00001432 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15078870 Ry
     estimated scf accuracy    <       0.00000355 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15078960 Ry
     estimated scf accuracy    <       0.00000066 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.20E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15078956 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.75E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15078970 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.73E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15078965 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0180  -4.3976  -3.0947  -2.7574

     highest occupied level (ev):    -2.7574

!    total energy              =     -12.15078967 Ry
     estimated scf accuracy    <          1.3E-09 Ry

     convergence has been achieved in   7 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02294631   -0.00411029    0.10481456
     atom    2 type  2   force =    -0.01067886   -0.00126417   -0.05795118
     atom    3 type  2   force =     0.00220162    0.00600492    0.04245242
     atom    4 type  2   force =     0.03056412   -0.00132412   -0.05279366
     atom    5 type  2   force =     0.00085943    0.00069366   -0.03652214

     Total force =     0.148003     Total SCF correction =     0.000025

     Entering Dynamics:    iteration =    17
                           time      =   0.0025 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4483154435        9.4519519562        9.4539405291
H            11.2848193293       11.1129746196       11.0970928997
H             9.4082818639        9.4306443390        6.7049463306
H             7.0810211727       10.0277855395       11.0676295774
H            10.0305671436        7.1311501355       10.9196574929


     kinetic energy (Ekin) =           0.01527179 Ry
     temperature           =         401.87079947 K 
     Ekin + Etot (const)   =         -12.13551789 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15217191 Ry
     estimated scf accuracy    <       0.00001785 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.23E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15217377 Ry
     estimated scf accuracy    <       0.00000389 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.86E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15217472 Ry
     estimated scf accuracy    <       0.00000065 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.16E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15217483 Ry
     estimated scf accuracy    <       0.00000027 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15217491 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0288  -4.4129  -3.1084  -2.7706

     highest occupied level (ev):    -2.7706

!    total energy              =     -12.15217488 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   6 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02227898   -0.00240211    0.10523097
     atom    2 type  2   force =    -0.01052575   -0.00076470   -0.05727471
     atom    3 type  2   force =     0.00210570    0.00609474    0.03817600
     atom    4 type  2   force =     0.02910063   -0.00076851   -0.05155634
     atom    5 type  2   force =     0.00159840   -0.00215942   -0.03457592

     Total force =     0.145515     Total SCF correction =     0.000130

     Entering Dynamics:    iteration =    18
                           time      =   0.0026 pico-seconds


     Velocity rescaling: T ( 401.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4482407412        9.4520478921        9.4543499779
H            11.2874238367       11.1098074191       11.0926846646
H             9.4069769088        9.4303780754        6.7128562984
H             7.0840807504       10.0253119061       11.0623872794
H            10.0283061023        7.1343627772       10.9098982777


     kinetic energy (Ekin) =           0.01251588 Ry
     temperature           =         329.35010744 K 
     Ekin + Etot (const)   =         -12.13965900 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15339310 Ry
     estimated scf accuracy    <       0.00001302 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15339464 Ry
     estimated scf accuracy    <       0.00000319 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.99E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15339555 Ry
     estimated scf accuracy    <       0.00000063 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.83E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15339542 Ry
     estimated scf accuracy    <       0.00000050 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15339561 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.39E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.7 secs

     total energy              =     -12.15339551 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0386  -4.4263  -3.1214  -2.7836

     highest occupied level (ev):    -2.7836

!    total energy              =     -12.15339554 Ry
     estimated scf accuracy    <          5.4E-09 Ry

     convergence has been achieved in   7 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02162227   -0.00087849    0.10557653
     atom    2 type  2   force =    -0.01034086   -0.00029766   -0.05661623
     atom    3 type  2   force =     0.00201193    0.00616787    0.03421467
     atom    4 type  2   force =     0.02768696   -0.00026088   -0.05036832
     atom    5 type  2   force =     0.00226424   -0.00473084   -0.03280665

     Total force =     0.143343     Total SCF correction =     0.000036

     Entering Dynamics:    iteration =    19
                           time      =   0.0028 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4481584370        9.4521435191        9.4547965452
H            11.2899262340       11.1066372793       11.0877173760
H             9.4056918205        9.4301727162        6.7211041169
H             7.0874137213       10.0228356968       11.0566476226
H            10.0260674191        7.1375287045       10.8998151152


     kinetic energy (Ekin) =           0.01373589 Ry
     temperature           =         361.45424686 K 
     Ekin + Etot (const)   =         -12.13965965 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15462857 Ry
     estimated scf accuracy    <       0.00001488 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.86E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15463019 Ry
     estimated scf accuracy    <       0.00000359 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15463129 Ry
     estimated scf accuracy    <       0.00000075 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.33E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15463124 Ry
     estimated scf accuracy    <       0.00000067 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.42E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15463124 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15463126 Ry
     estimated scf accuracy    <       0.00000082 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15463122 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0491  -4.4403  -3.1350  -2.7973

     highest occupied level (ev):    -2.7973

!    total energy              =     -12.15463124 Ry
     estimated scf accuracy    <       0.00000001 Ry

     convergence has been achieved in   8 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02089334    0.00067542    0.10590807
     atom    2 type  2   force =    -0.01010178    0.00020707   -0.05589722
     atom    3 type  2   force =     0.00191417    0.00623706    0.03004685
     atom    4 type  2   force =     0.02612879    0.00027075   -0.04907923
     atom    5 type  2   force =     0.00295215   -0.00739031   -0.03097846

     Total force =     0.141209     Total SCF correction =     0.000062

     Entering Dynamics:    iteration =    20
                           time      =   0.0029 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4480687871        9.4522393836        9.4552803476
H            11.2923288819       11.1034691842       11.0821981338
H             9.4044256335        9.4300289444        6.7296486311
H             7.0910046994       10.0203621609       11.0504233359
H            10.0238578868        7.1406216567       10.8894260578


     kinetic energy (Ekin) =           0.01497090 Ry
     temperature           =         393.95293340 K 
     Ekin + Etot (const)   =         -12.13966034 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15586544 Ry
     estimated scf accuracy    <       0.00001685 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.11E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15586727 Ry
     estimated scf accuracy    <       0.00000367 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15586822 Ry
     estimated scf accuracy    <       0.00000063 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.87E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15586822 Ry
     estimated scf accuracy    <       0.00000041 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.13E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15586836 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.88E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15586830 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0600  -4.4544  -3.1493  -2.8122

     highest occupied level (ev):    -2.8122

!    total energy              =     -12.15586833 Ry
     estimated scf accuracy    <          6.5E-10 Ry

     convergence has been achieved in   7 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02008577    0.00224013    0.10619511
     atom    2 type  2   force =    -0.00980644    0.00075398   -0.05511145
     atom    3 type  2   force =     0.00180992    0.00630609    0.02567729
     atom    4 type  2   force =     0.02442094    0.00083075   -0.04767925
     atom    5 type  2   force =     0.00366134   -0.01013096   -0.02908171

     Total force =     0.139120     Total SCF correction =     0.000018

     Entering Dynamics:    iteration =    21
                           time      =   0.0030 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4479720755        9.4523360357        9.4558014858
H            11.2946346966       11.1003085343       11.0761346970
H             9.4031773185        9.4299474417        6.7384466941
H             7.0948368205       10.0178968283       11.0437282435
H            10.0216845082        7.1436145713       10.8787498349


     kinetic energy (Ekin) =           0.01620724 Ry
     temperature           =         426.48676508 K 
     Ekin + Etot (const)   =         -12.13966109 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15709045 Ry
     estimated scf accuracy    <       0.00001890 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.36E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15709239 Ry
     estimated scf accuracy    <       0.00000405 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15709349 Ry
     estimated scf accuracy    <       0.00000071 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.86E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15709347 Ry
     estimated scf accuracy    <       0.00000051 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.37E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15709365 Ry
     estimated scf accuracy    <       0.00000027 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.44E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.8 secs

     total energy              =     -12.15709356 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0715  -4.4687  -3.1642  -2.8279

     highest occupied level (ev):    -2.8279

!    total energy              =     -12.15709360 Ry
     estimated scf accuracy    <          6.4E-10 Ry

     convergence has been achieved in   7 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01919638    0.00382278    0.10644503
     atom    2 type  2   force =    -0.00946086    0.00133350   -0.05426531
     atom    3 type  2   force =     0.00169950    0.00636959    0.02113572
     atom    4 type  2   force =     0.02257023    0.00141410   -0.04617619
     atom    5 type  2   force =     0.00438751   -0.01293997   -0.02713926

     Total force =     0.137138     Total SCF correction =     0.000017

     Entering Dynamics:    iteration =    22
                           time      =   0.0032 pico-seconds


     Velocity rescaling: T ( 426.5K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4478842142        9.4524184420        9.4562759895
H            11.2964751682       11.0976708574       11.0705134390
H             9.4021471354        9.4299419814        6.7460343534
H             7.0982736978       10.0158431115       11.0376570900
H            10.0199050146        7.1459969607       10.8695276769


     kinetic energy (Ekin) =           0.01234427 Ry
     temperature           =         324.83431840 K 
     Ekin + Etot (const)   =         -12.14474933 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15811696 Ry
     estimated scf accuracy    <       0.00001363 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15811834 Ry
     estimated scf accuracy    <       0.00000329 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.11E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15811942 Ry
     estimated scf accuracy    <       0.00000072 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.96E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15811938 Ry
     estimated scf accuracy    <       0.00000075 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.96E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15812283 Ry
     estimated scf accuracy    <       0.00000081 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.96E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15811612 Ry
     estimated scf accuracy    <       0.00001749 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.96E-09,  avg # of iterations =  4.0

     total cpu time spent up to now is        0.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0819  -4.4811  -3.1775  -2.8419

     highest occupied level (ev):    -2.8419

!    total energy              =     -12.15811930 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   7 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01837740    0.00515195    0.10663042
     atom    2 type  2   force =    -0.00911988    0.00185048   -0.05349626
     atom    3 type  2   force =     0.00160430    0.00641672    0.01718432
     atom    4 type  2   force =     0.02088773    0.00191640   -0.04482906
     atom    5 type  2   force =     0.00500525   -0.01533555   -0.02548943

     Total force =     0.135578     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =    23
                           time      =   0.0033 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4477898918        9.4525026597        9.4567879821
H            11.2982255861       11.0950514531       11.0643639354
H             9.4011327939        9.4299998826        6.7537916983
H             7.1019168297       10.0138083181       11.0311432746
H            10.0181749452        7.1482279202       10.8600538252


     kinetic energy (Ekin) =           0.01336966 Ry
     temperature           =         351.81718555 K 
     Ekin + Etot (const)   =         -12.14474963 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15913745 Ry
     estimated scf accuracy    <       0.00001371 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15913899 Ry
     estimated scf accuracy    <       0.00000339 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15914009 Ry
     estimated scf accuracy    <       0.00000073 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.16E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15914001 Ry
     estimated scf accuracy    <       0.00000078 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.16E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15914143 Ry
     estimated scf accuracy    <       0.00000074 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.16E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15913940 Ry
     estimated scf accuracy    <       0.00000612 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.16E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15913986 Ry
     estimated scf accuracy    <       0.00000030 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.74E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15913992 Ry
     estimated scf accuracy    <       0.00000116 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.15913992 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration # 10     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.78E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.0919  -4.4929  -3.1913  -2.8571

     highest occupied level (ev):    -2.8571

!    total energy              =     -12.15913996 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in  10 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01746906    0.00643423    0.10669479
     atom    2 type  2   force =    -0.00871895    0.00241487   -0.05265878
     atom    3 type  2   force =     0.00149941    0.00646789    0.01307055
     atom    4 type  2   force =     0.01904964    0.00246325   -0.04334550
     atom    5 type  2   force =     0.00563895   -0.01778024   -0.02376107

     Total force =     0.134016     Total SCF correction =     0.000097

     Entering Dynamics:    iteration =    24
                           time      =   0.0035 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4476894277        9.4525891395        9.4573374864
H            11.2998899092       11.0924558942       11.0576944561
H             9.4001332582        9.4301216506        6.7616781075
H             7.1057480661       10.0117978479       11.0242014468
H            10.0165005572        7.1502833098       10.8503453463


     kinetic energy (Ekin) =           0.01438991 Ry
     temperature           =         378.66439043 K 
     Ekin + Etot (const)   =         -12.14475006 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        0.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.16014379 Ry
     estimated scf accuracy    <       0.00001733 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.16014548 Ry
     estimated scf accuracy    <       0.00000366 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.16014654 Ry
     estimated scf accuracy    <       0.00000066 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.20E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        0.9 secs

     total energy              =     -12.16014649 Ry
     estimated scf accuracy    <       0.00000058 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.24E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        0.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1022  -4.5050  -3.2047  -2.8715

     highest occupied level (ev):    -2.8715

!    total energy              =     -12.16014657 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01648105    0.00769778    0.10671498
     atom    2 type  2   force =    -0.00826642    0.00302455   -0.05175890
     atom    3 type  2   force =     0.00139911    0.00651117    0.00884703
     atom    4 type  2   force =     0.01706638    0.00302681   -0.04177991
     atom    5 type  2   force =     0.00628197   -0.02026031   -0.02202320

     Total force =     0.132586     Total SCF correction =     0.000108

     Entering Dynamics:    iteration =    25
                           time      =   0.0036 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4475831692        9.4526783257        9.4579245094
H            11.3014726061       11.0898902010       11.0505138866
H             9.3991475379        9.4303077127        6.7696518762
H             7.1097478234       10.0098172658       11.0168470658
H            10.0148882002        7.1521386403       10.8404194007


     kinetic energy (Ekin) =           0.01539548 Ry
     temperature           =         405.12569281 K 
     Ekin + Etot (const)   =         -12.14475109 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16112808 Ry
     estimated scf accuracy    <       0.00001815 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.27E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16112990 Ry
     estimated scf accuracy    <       0.00000386 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16113098 Ry
     estimated scf accuracy    <       0.00000067 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.32E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16113093 Ry
     estimated scf accuracy    <       0.00000060 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.49E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1133  -4.5168  -3.2196  -2.8882

     highest occupied level (ev):    -2.8882

!    total energy              =     -12.16113102 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01541426    0.00890636    0.10664952
     atom    2 type  2   force =    -0.00776770    0.00365098   -0.05080786
     atom    3 type  2   force =     0.00128990    0.00655522    0.00455465
     atom    4 type  2   force =     0.01497131    0.00360807   -0.04011997
     atom    5 type  2   force =     0.00692075   -0.02272063   -0.02027634

     Total force =     0.131277     Total SCF correction =     0.000096

     Entering Dynamics:    iteration =    26
                           time      =   0.0038 pico-seconds


     Velocity rescaling: T ( 405.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4474863112        9.4527582043        9.4584671556
H            11.3027578617       11.0877183978       11.0438330962
H             9.3983120336        9.4305325538        6.7765585136
H             7.1133375657       10.0081485442       11.0101222423
H            10.0135690581        7.1535108532       10.8316776148


     kinetic energy (Ekin) =           0.01218682 Ry
     temperature           =         320.69103261 K 
     Ekin + Etot (const)   =         -12.14894420 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196408 Ry
     estimated scf accuracy    <       0.00001324 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196538 Ry
     estimated scf accuracy    <       0.00000341 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.26E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196650 Ry
     estimated scf accuracy    <       0.00000078 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.71E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196654 Ry
     estimated scf accuracy    <       0.00000077 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.64E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196611 Ry
     estimated scf accuracy    <       0.00000098 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.64E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196651 Ry
     estimated scf accuracy    <       0.00000250 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196635 Ry
     estimated scf accuracy    <       0.00000085 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.64E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16196637 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.34E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1240  -4.5271  -3.2337  -2.9044

     highest occupied level (ev):    -2.9044

!    total energy              =     -12.16196631 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   9 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01442239    0.00988349    0.10648361
     atom    2 type  2   force =    -0.00730788    0.00419337   -0.04995968
     atom    3 type  2   force =     0.00118656    0.00658667    0.00091129
     atom    4 type  2   force =     0.01308643    0.00411846   -0.03863344
     atom    5 type  2   force =     0.00745727   -0.02478199   -0.01880179

     Total force =     0.130235     Total SCF correction =     0.000169

     Entering Dynamics:    iteration =    27
                           time      =   0.0039 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4473843827        9.4528415577        9.4590472393
H            11.3039709561       11.0855880017       11.0366589819
H             9.3974882460        9.4308224345        6.7834741495
H             7.1170565291       10.0065204902       11.0030159353
H            10.0123235523        7.1546383580       10.8227501717


     kinetic energy (Ekin) =           0.01302172 Ry
     temperature           =         342.66118753 K 
     Ekin + Etot (const)   =         -12.14894459 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278740 Ry
     estimated scf accuracy    <       0.00001257 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.57E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278905 Ry
     estimated scf accuracy    <       0.00000305 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278990 Ry
     estimated scf accuracy    <       0.00000054 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.78E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278986 Ry
     estimated scf accuracy    <       0.00000058 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.78E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16279085 Ry
     estimated scf accuracy    <       0.00000057 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.78E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278898 Ry
     estimated scf accuracy    <       0.00000425 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.78E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278995 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.08E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.0 secs

     total energy              =     -12.16278981 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.08E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1337  -4.5366  -3.2473  -2.9202

     highest occupied level (ev):    -2.9202

!    total energy              =     -12.16278985 Ry
     estimated scf accuracy    <          1.7E-09 Ry

     convergence has been achieved in   9 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01334903    0.01077769    0.10623104
     atom    2 type  2   force =    -0.00676801    0.00480384   -0.04902647
     atom    3 type  2   force =     0.00108664    0.00662452   -0.00289939
     atom    4 type  2   force =     0.01103363    0.00465701   -0.03701663
     atom    5 type  2   force =     0.00799676   -0.02686306   -0.01728855

     Total force =     0.129242     Total SCF correction =     0.000021

     Entering Dynamics:    iteration =    28
                           time      =   0.0041 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4472777610        9.4529287003        9.4596646714
H            11.3051172203       11.0835050410       11.0290007587
H             9.3966751883        9.4311777286        6.7903611555
H             7.1208844435       10.0049384215       10.9955441098
H            10.0111570100        7.1555006050       10.8136520140


     kinetic energy (Ekin) =           0.01384537 Ry
     temperature           =         364.33507532 K 
     Ekin + Etot (const)   =         -12.14894449 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359445 Ry
     estimated scf accuracy    <       0.00001472 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.84E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359611 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359711 Ry
     estimated scf accuracy    <       0.00000063 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.88E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359710 Ry
     estimated scf accuracy    <       0.00000066 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.88E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359918 Ry
     estimated scf accuracy    <       0.00000080 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.88E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359490 Ry
     estimated scf accuracy    <       0.00001053 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.88E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359719 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.20E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16359706 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.20E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1439  -4.5458  -3.2614  -2.9366

     highest occupied level (ev):    -2.9366

!    total energy              =     -12.16359706 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   9 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01220232    0.01157820    0.10585916
     atom    2 type  2   force =    -0.00618580    0.00544063   -0.04805590
     atom    3 type  2   force =     0.00098602    0.00665799   -0.00666370
     atom    4 type  2   force =     0.00887492    0.00521495   -0.03533463
     atom    5 type  2   force =     0.00852719   -0.02889176   -0.01580493

     Total force =     0.128327     Total SCF correction =     0.000112

     Entering Dynamics:    iteration =    29
                           time      =   0.0042 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4471668491        9.4530199136        9.4603193214
H            11.3062024030       11.0814758033       11.0208680106
H             9.3958718670        9.4315987666        6.7971823613
H             7.1247999927       10.0034078476       10.9877233748
H            10.0100746689        7.1560775622       10.8043977914


     kinetic energy (Ekin) =           0.01465269 Ry
     temperature           =         385.57945214 K 
     Ekin + Etot (const)   =         -12.14894437 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438166 Ry
     estimated scf accuracy    <       0.00001470 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.84E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438346 Ry
     estimated scf accuracy    <       0.00000350 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.38E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438445 Ry
     estimated scf accuracy    <       0.00000062 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.78E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438444 Ry
     estimated scf accuracy    <       0.00000065 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.78E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438814 Ry
     estimated scf accuracy    <       0.00000079 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.78E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438064 Ry
     estimated scf accuracy    <       0.00001890 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.78E-09,  avg # of iterations =  4.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438456 Ry
     estimated scf accuracy    <       0.00000046 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.71E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.1 secs

     total energy              =     -12.16438433 Ry
     estimated scf accuracy    <       0.00000047 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.71E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1541  -4.5544  -3.2760  -2.9540

     highest occupied level (ev):    -2.9540

!    total energy              =     -12.16438441 Ry
     estimated scf accuracy    <          8.1E-10 Ry

     convergence has been achieved in   9 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01097611    0.01228300    0.10534165
     atom    2 type  2   force =    -0.00556033    0.00610553   -0.04701606
     atom    3 type  2   force =     0.00088301    0.00668970   -0.01045486
     atom    4 type  2   force =     0.00660843    0.00578716   -0.03355637
     atom    5 type  2   force =     0.00904500   -0.03086539   -0.01431436

     Total force =     0.127453     Total SCF correction =     0.000007

     Entering Dynamics:    iteration =    30
                           time      =   0.0044 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4470520783        9.4531154454        9.4610110073
H            11.3072326807       11.0795068544       11.0122710052
H             9.3950772649        9.4320858616        6.8039003313
H             7.1287807964       10.0019344185       10.9795712894
H            10.0090816421        7.1563497411       10.7950022226


     kinetic energy (Ekin) =           0.01544015 Ry
     temperature           =         406.30105239 K 
     Ekin + Etot (const)   =         -12.14894426 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514620 Ry
     estimated scf accuracy    <       0.00001632 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514804 Ry
     estimated scf accuracy    <       0.00000381 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514914 Ry
     estimated scf accuracy    <       0.00000068 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.55E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514916 Ry
     estimated scf accuracy    <       0.00000069 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.55E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514923 Ry
     estimated scf accuracy    <       0.00000092 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.55E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514893 Ry
     estimated scf accuracy    <       0.00000576 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514910 Ry
     estimated scf accuracy    <       0.00000081 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514916 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.35E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16514910 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration # 10     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1644  -4.5625  -3.2909  -2.9715

     highest occupied level (ev):    -2.9715

!    total energy              =     -12.16514910 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in  10 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00967345    0.01287360    0.10470609
     atom    2 type  2   force =    -0.00488696    0.00679869   -0.04594396
     atom    3 type  2   force =     0.00077977    0.00671887   -0.01417402
     atom    4 type  2   force =     0.00423499    0.00637520   -0.03171624
     atom    5 type  2   force =     0.00954566   -0.03276636   -0.01287187

     Total force =     0.126670     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =    31
                           time      =   0.0045 pico-seconds


     Velocity rescaling: T ( 406.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4469500567        9.4532020603        9.4616421743
H            11.3080697257       11.0778821015       11.0044300665
H             9.3944021759        9.4325707595        6.8095330139
H             7.1322432549       10.0007312762       10.9722531540
H            10.0083226082        7.1562600706       10.7868016594


     kinetic energy (Ekin) =           0.01201091 Ry
     temperature           =         316.06220014 K 
     Ekin + Etot (const)   =         -12.15313819 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579477 Ry
     estimated scf accuracy    <       0.00001198 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579625 Ry
     estimated scf accuracy    <       0.00000286 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579704 Ry
     estimated scf accuracy    <       0.00000050 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.23E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579705 Ry
     estimated scf accuracy    <       0.00000050 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.20E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579689 Ry
     estimated scf accuracy    <       0.00000063 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.20E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579707 Ry
     estimated scf accuracy    <       0.00000162 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.20E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579702 Ry
     estimated scf accuracy    <       0.00000043 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.40E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16579702 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  9     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1734  -4.5688  -3.3040  -2.9873

     highest occupied level (ev):    -2.9873

!    total energy              =     -12.16579700 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   9 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00849085    0.01324858    0.10399199
     atom    2 type  2   force =    -0.00426548    0.00742107   -0.04497368
     atom    3 type  2   force =     0.00069239    0.00674357   -0.01729698
     atom    4 type  2   force =     0.00210871    0.00689442   -0.03006182
     atom    5 type  2   force =     0.00995523   -0.03430764   -0.01165951

     Total force =     0.125979     Total SCF correction =     0.000116

     Entering Dynamics:    iteration =    32
                           time      =   0.0046 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4468450498        9.4532933332        9.4623099026
H            11.3088646514       11.0763306276       10.9961450379
H             9.3937339239        9.4331222464        6.8149948987
H             7.1357265357        9.9995962124       10.9646381750
H            10.0076618766        7.1558316314       10.7784859651


     kinetic energy (Ekin) =           0.01265924 Ry
     temperature           =         333.12270358 K 
     Ekin + Etot (const)   =         -12.15313776 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643713 Ry
     estimated scf accuracy    <       0.00001209 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643873 Ry
     estimated scf accuracy    <       0.00000293 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643950 Ry
     estimated scf accuracy    <       0.00000049 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.16E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643947 Ry
     estimated scf accuracy    <       0.00000046 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.79E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643948 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643953 Ry
     estimated scf accuracy    <       0.00000059 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.2 secs

     total energy              =     -12.16643950 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  8     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1822  -4.5743  -3.3174  -3.0036

     highest occupied level (ev):    -3.0036

!    total energy              =     -12.16643947 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   8 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00724228    0.01349016    0.10312528
     atom    2 type  2   force =    -0.00359561    0.00807259   -0.04395028
     atom    3 type  2   force =     0.00060552    0.00676648   -0.02035460
     atom    4 type  2   force =    -0.00010925    0.00742406   -0.02833639
     atom    5 type  2   force =     0.01034161   -0.03575330   -0.01048400

     Total force =     0.125270     Total SCF correction =     0.000131

     Entering Dynamics:    iteration =    33
                           time      =   0.0048 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4467374967        9.4533893489        9.4630138875
H            11.3096240724       11.0748588661       10.9874260250
H             9.3930716511        9.4337405485        6.8202557931
H             7.1392087378        9.9985344570       10.9567433900
H            10.0071032626        7.1550501485       10.7700667473


     kinetic energy (Ekin) =           0.01330222 Ry
     temperature           =         350.04236662 K 
     Ekin + Etot (const)   =         -12.15313726 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16707379 Ry
     estimated scf accuracy    <       0.00001257 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.57E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16707547 Ry
     estimated scf accuracy    <       0.00000306 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16707625 Ry
     estimated scf accuracy    <       0.00000051 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.33E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16707618 Ry
     estimated scf accuracy    <       0.00000045 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.61E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1903  -4.5784  -3.3305  -3.0197

     highest occupied level (ev):    -3.0197

!    total energy              =     -12.16707625 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00593427    0.01358055    0.10209163
     atom    2 type  2   force =    -0.00287715    0.00875711   -0.04287694
     atom    3 type  2   force =     0.00052220    0.00678980   -0.02332213
     atom    4 type  2   force =    -0.00241335    0.00796563   -0.02654588
     atom    5 type  2   force =     0.01070257   -0.03709310   -0.00934668

     Total force =     0.124530     Total SCF correction =     0.000086

     Entering Dynamics:    iteration =    34
                           time      =   0.0049 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4466278572        9.4534901393        9.4637537657
H            11.3103550833       11.0734735760       10.9782836264
H             9.3924145348        9.4344258962        6.8252863946
H             7.1426671093        9.9975513578       10.9485864795
H            10.0066503305        7.1539023921       10.7615552361


     kinetic energy (Ekin) =           0.01393926 Ry
     temperature           =         366.80580803 K 
     Ekin + Etot (const)   =         -12.15313699 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16770496 Ry
     estimated scf accuracy    <       0.00001378 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.72E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16770668 Ry
     estimated scf accuracy    <       0.00000331 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.14E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16770751 Ry
     estimated scf accuracy    <       0.00000054 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.79E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16770744 Ry
     estimated scf accuracy    <       0.00000045 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16770758 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16770751 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  7     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1994  -4.5829  -3.3451  -3.0375

     highest occupied level (ev):    -3.0375

!    total energy              =     -12.16770754 Ry
     estimated scf accuracy    <          3.7E-09 Ry

     convergence has been achieved in   7 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00457139    0.01351097    0.10086866
     atom    2 type  2   force =    -0.00213252    0.00945017   -0.04177079
     atom    3 type  2   force =     0.00043388    0.00681210   -0.02612245
     atom    4 type  2   force =    -0.00475971    0.00851125   -0.02470898
     atom    5 type  2   force =     0.01102975   -0.03828450   -0.00826644

     Total force =     0.123721     Total SCF correction =     0.000033

     Entering Dynamics:    iteration =    35
                           time      =   0.0051 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4465166106        9.4535956798        9.4645291072
H            11.3110650366       11.0721816011       10.9687287647
H             9.3917617028        9.4351785094        6.8300590516
H             7.1460784814        9.9966523024       10.9401855816
H            10.0063063109        7.1523765978       10.7529620986


     kinetic energy (Ekin) =           0.01457066 Ry
     temperature           =         383.42084091 K 
     Ekin + Etot (const)   =         -12.15313688 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16833131 Ry
     estimated scf accuracy    <       0.00001468 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.83E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16833308 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16833396 Ry
     estimated scf accuracy    <       0.00000058 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.21E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16833389 Ry
     estimated scf accuracy    <       0.00000044 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.49E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.3 secs

     total energy              =     -12.16833402 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.29E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2080  -4.5860  -3.3591  -3.0547

     highest occupied level (ev):    -3.0547

!    total energy              =     -12.16833397 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   6 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00315443    0.01328197    0.09946253
     atom    2 type  2   force =    -0.00135161    0.01016466   -0.04063710
     atom    3 type  2   force =     0.00035375    0.00683015   -0.02873114
     atom    4 type  2   force =    -0.00717254    0.00906343   -0.02283588
     atom    5 type  2   force =     0.01132483   -0.03934021   -0.00725841

     Total force =     0.122848     Total SCF correction =     0.000168

     Entering Dynamics:    iteration =    36
                           time      =   0.0052 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4464042549        9.4537058900        9.4653394175
H            11.3117616436       11.0709899965       10.9587726345
H             9.3911123639        9.4359985666        6.8345480047
H             7.1494190287        9.9958427433       10.9315591922
H            10.0060741176        7.1504623411       10.7442972883


     kinetic energy (Ekin) =           0.01519756 Ry
     temperature           =         399.91742916 K 
     Ekin + Etot (const)   =         -12.15313641 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16895392 Ry
     estimated scf accuracy    <       0.00001354 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.69E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16895587 Ry
     estimated scf accuracy    <       0.00000341 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.26E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16895663 Ry
     estimated scf accuracy    <       0.00000052 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.50E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16895660 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.44E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16895669 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2162  -4.5880  -3.3734  -3.0724

     highest occupied level (ev):    -3.0724

!    total energy              =     -12.16895667 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   6 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00169116    0.01287746    0.09786923
     atom    2 type  2   force =    -0.00052503    0.01090712   -0.03945175
     atom    3 type  2   force =     0.00027344    0.00684881   -0.03121909
     atom    4 type  2   force =    -0.00964389    0.00962173   -0.02090349
     atom    5 type  2   force =     0.01158664   -0.04025511   -0.00629490

     Total force =     0.121907     Total SCF correction =     0.000120

     Entering Dynamics:    iteration =    37
                           time      =   0.0054 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462913046        9.4538206276        9.4661841366
H            11.3124530662       11.0699060935       10.9484269404
H             9.3904657251        9.4368862520        6.8387286868
H             7.1526643480        9.9951281934       10.9227263926
H            10.0059563359        7.1481505877       10.7355703194


     kinetic energy (Ekin) =           0.01582091 Ry
     temperature           =         416.32059093 K 
     Ekin + Etot (const)   =         -12.15313576 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16957411 Ry
     estimated scf accuracy    <       0.00001428 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16957611 Ry
     estimated scf accuracy    <       0.00000360 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16957690 Ry
     estimated scf accuracy    <       0.00000054 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.75E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16957689 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.14E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.16957697 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  6     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2241  -4.5890  -3.3880  -3.0903

     highest occupied level (ev):    -3.0903

!    total energy              =     -12.16957696 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   6 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00018680    0.01229334    0.09607580
     atom    2 type  2   force =     0.00033518    0.01166821   -0.03823406
     atom    3 type  2   force =     0.00019732    0.00686570   -0.03350701
     atom    4 type  2   force =    -0.01215640    0.01018261   -0.01893622
     atom    5 type  2   force =     0.01181071   -0.04100986   -0.00539851

     Total force =     0.120873     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =    38
                           time      =   0.0055 pico-seconds


     Velocity rescaling: T ( 416.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4461953576        9.4539223483        9.4669349806
H            11.3130433111       11.0691012062       10.9392671400
H             9.3899187543        9.4377075859        6.8419467244
H             7.1552991994        9.9946221733       10.9150414145
H            10.0059729774        7.1457832354       10.7281088564


     kinetic energy (Ekin) =           0.01188784 Ry
     temperature           =         312.82368527 K 
     Ekin + Etot (const)   =         -12.15768911 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.17011262 Ry
     estimated scf accuracy    <       0.00001060 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.17011412 Ry
     estimated scf accuracy    <       0.00000271 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.17011468 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.91E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.4 secs

     total energy              =     -12.17011469 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.60E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2307  -4.5889  -3.4004  -3.1055

     highest occupied level (ev):    -3.1055

!    total energy              =     -12.17011473 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00111845    0.01161881    0.09436443
     atom    2 type  2   force =     0.00109078    0.01232808   -0.03718318
     atom    3 type  2   force =     0.00013644    0.00688000   -0.03522008
     atom    4 type  2   force =    -0.01430541    0.01065633   -0.01725007
     atom    5 type  2   force =     0.01195974   -0.04148322   -0.00471109

     Total force =     0.119860     Total SCF correction =     0.000146

     Entering Dynamics:    iteration =    39
                           time      =   0.0057 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4460998039        9.4540281538        9.4677190011
H            11.3136443269       11.0684180517       10.9297401767
H             9.3893731308        9.4385968559        6.8448169835
H             7.1577927928        9.9942213785       10.9071861016
H            10.0061077146        7.1430062596       10.7206008739


     kinetic energy (Ekin) =           0.01242622 Ry
     temperature           =         326.99092511 K 
     Ekin + Etot (const)   =         -12.15768850 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17066658 Ry
     estimated scf accuracy    <       0.00001070 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17066816 Ry
     estimated scf accuracy    <       0.00000280 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17066870 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.86E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17066874 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.21E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2368  -4.5877  -3.4129  -3.1209

     highest occupied level (ev):    -3.1209

!    total energy              =     -12.17066877 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00243994    0.01076486    0.09244005
     atom    2 type  2   force =     0.00187453    0.01300083   -0.03609132
     atom    3 type  2   force =     0.00007999    0.00689035   -0.03672533
     atom    4 type  2   force =    -0.01646408    0.01112512   -0.01553807
     atom    5 type  2   force =     0.01206962   -0.04178116   -0.00408533

     Total force =     0.118670     Total SCF correction =     0.000127

     Entering Dynamics:    iteration =    40
                           time      =   0.0058 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4460051079        9.4541377441        9.4685355215
H            11.3142638527       11.0678632732       10.9198568317
H             9.3888282970        9.4395541643        6.8473246006
H             7.1601238127        9.9939304381       10.8991773590
H            10.0063616326        7.1398167182       10.7130525511


     kinetic energy (Ekin) =           0.01298096 Ry
     temperature           =         341.58858884 K 
     Ekin + Etot (const)   =         -12.15768781 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17123810 Ry
     estimated scf accuracy    <       0.00001115 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17123974 Ry
     estimated scf accuracy    <       0.00000294 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.68E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17124028 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.84E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17124034 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.84E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2426  -4.5854  -3.4256  -3.1363

     highest occupied level (ev):    -3.1363

!    total energy              =     -12.17124036 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00377195    0.00973033    0.09031800
     atom    2 type  2   force =     0.00268088    0.01368336   -0.03497651
     atom    3 type  2   force =     0.00002788    0.00689824   -0.03798990
     atom    4 type  2   force =    -0.01861778    0.01158662   -0.01381882
     atom    5 type  2   force =     0.01213707   -0.04189855   -0.00353278

     Total force =     0.117311     Total SCF correction =     0.000122

     Entering Dynamics:    iteration =    41
                           time      =   0.0060 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4459117381        9.4542507553        9.4693837958
H            11.3149098506       11.0674436101       10.9096281134
H             9.3882837386        9.4405795889        6.8494570889
H             7.1622709924        9.9937539091       10.8910321634
H            10.0067353974        7.1362134522       10.7054693441


     kinetic energy (Ekin) =           0.01355322 Ry
     temperature           =         356.64729445 K 
     Ekin + Etot (const)   =         -12.15768714 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17182825 Ry
     estimated scf accuracy    <       0.00001155 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17182995 Ry
     estimated scf accuracy    <       0.00000309 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17183049 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.91E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.5 secs

     total energy              =     -12.17183057 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.59E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2480  -4.5819  -3.4383  -3.1516

     highest occupied level (ev):    -3.1516

!    total energy              =     -12.17183059 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00510638    0.00851567    0.08799114
     atom    2 type  2   force =     0.00350687    0.01437342   -0.03383752
     atom    3 type  2   force =    -0.00001946    0.00690304   -0.03901035
     atom    4 type  2   force =    -0.02075470    0.01203785   -0.01209414
     atom    5 type  2   force =     0.01216091   -0.04182998   -0.00304913

     Total force =     0.115772     Total SCF correction =     0.000105

     Entering Dynamics:    iteration =    42
                           time      =   0.0061 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4458201636        9.4543667605        9.4702630060
H            11.3155904768       11.0671658764       10.8990652686
H             9.3877389880        9.4416731771        6.8512043718
H             7.1642132312        9.9936962471       10.8827675450
H            10.0072292443        7.1321971387       10.6978560287


     kinetic energy (Ekin) =           0.01414407 Ry
     temperature           =         372.19537617 K 
     Ekin + Etot (const)   =         -12.15768652 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17243783 Ry
     estimated scf accuracy    <       0.00001204 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17243959 Ry
     estimated scf accuracy    <       0.00000326 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17244015 Ry
     estimated scf accuracy    <       0.00000040 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.01E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17244024 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2530  -4.5774  -3.4511  -3.1669

     highest occupied level (ev):    -3.1669

!    total energy              =     -12.17244026 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00643462    0.00712270    0.08546651
     atom    2 type  2   force =     0.00434943    0.01506845   -0.03267974
     atom    3 type  2   force =    -0.00006191    0.00690448   -0.03977516
     atom    4 type  2   force =    -0.02286242    0.01247639   -0.01037435
     atom    5 type  2   force =     0.01214028   -0.04157201   -0.00263726

     Total force =     0.114057     Total SCF correction =     0.000091

     Entering Dynamics:    iteration =    43
                           time      =   0.0062 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4457308514        9.4544852698        9.4711722643
H            11.3163140513       11.0670369352       10.8881797298
H             9.3871936261        9.4428349432        6.8525588973
H             7.1659297163        9.9937617824       10.8744004856
H            10.0078429697        7.1277703249       10.6902166718


     kinetic energy (Ekin) =           0.01475429 Ry
     temperature           =         388.25305611 K 
     Ekin + Etot (const)   =         -12.15768597 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17306733 Ry
     estimated scf accuracy    <       0.00001256 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.57E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17306916 Ry
     estimated scf accuracy    <       0.00000343 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.29E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17306972 Ry
     estimated scf accuracy    <       0.00000041 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.10E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17306983 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2576  -4.5717  -3.4639  -3.1820

     highest occupied level (ev):    -3.1820

!    total energy              =     -12.17306984 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00774741    0.00555512    0.08274856
     atom    2 type  2   force =     0.00520505    0.01576579   -0.03150670
     atom    3 type  2   force =    -0.00009927    0.00690205   -0.04027846
     atom    4 type  2   force =    -0.02492789    0.01289952   -0.00866725
     atom    5 type  2   force =     0.01207471   -0.04112249   -0.00229615

     Total force =     0.112168     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =    44
                           time      =   0.0064 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4456442630        9.4546057322        9.4721106153
H            11.3170890227       11.0670636723       10.8769830799
H             9.3866472839        9.4440648631        6.8535156957
H             7.1674000526        9.9939546933       10.8659478421
H            10.0085759261        7.1229374497       10.6825546418


     kinetic energy (Ekin) =           0.01538436 Ry
     temperature           =         404.83301402 K 
     Ekin + Etot (const)   =         -12.15768548 Ry

     Linear momentum :   -0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17371685 Ry
     estimated scf accuracy    <       0.00001309 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17371874 Ry
     estimated scf accuracy    <       0.00000361 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.6 secs

     total energy              =     -12.17371932 Ry
     estimated scf accuracy    <       0.00000041 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.17E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2618  -4.5649  -3.4772  -3.1972

     highest occupied level (ev):    -3.1972

!    total energy              =     -12.17371945 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00904432    0.00381939    0.07981984
     atom    2 type  2   force =     0.00606762    0.01646332   -0.03027426
     atom    3 type  2   force =    -0.00012420    0.00688270   -0.04059958
     atom    4 type  2   force =    -0.02694852    0.01329996   -0.00695313
     atom    5 type  2   force =     0.01196078   -0.04046538   -0.00199288

     Total force =     0.110107     Total SCF correction =     0.000105

     Entering Dynamics:    iteration =    45
                           time      =   0.0065 pico-seconds


     Velocity rescaling: T ( 404.8K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4455729040        9.4547107740        9.4729464487
H            11.3178160637       11.0672492547       10.8670456095
H             9.3861757441        9.4451915908        6.8539384484
H             7.1683996760        9.9942520884       10.8586028064
H            10.0093249906        7.1183775424       10.6759391778


     kinetic energy (Ekin) =           0.01192137 Ry
     temperature           =         313.70587534 K 
     Ekin + Etot (const)   =         -12.16179808 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17430400 Ry
     estimated scf accuracy    <       0.00001075 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17430543 Ry
     estimated scf accuracy    <       0.00000291 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17430592 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.21E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2650  -4.5580  -3.4882  -3.2097

     highest occupied level (ev):    -3.2097

!    total energy              =     -12.17430603 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01010572    0.00217518    0.07712901
     atom    2 type  2   force =     0.00681459    0.01705150   -0.02925202
     atom    3 type  2   force =    -0.00014774    0.00687516   -0.04051273
     atom    4 type  2   force =    -0.02859418    0.01362170   -0.00553293
     atom    5 type  2   force =     0.01182162   -0.03972353   -0.00183134

     Total force =     0.108130     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =    46
                           time      =   0.0067 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4455050980        9.4548165805        9.4738093990
H            11.3186103950       11.0676032112       10.8568192919
H             9.3857027454        9.4463862068        6.8539611607
H             7.1691169479        9.9946839901       10.8512031361
H            10.0101907869        7.1134253875       10.6693056305


     kinetic energy (Ekin) =           0.01250726 Ry
     temperature           =         329.12345039 K 
     Ekin + Etot (const)   =         -12.16179877 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17491940 Ry
     estimated scf accuracy    <       0.00001096 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17492092 Ry
     estimated scf accuracy    <       0.00000303 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17492140 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.14E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2676  -4.5499  -3.4992  -3.2220

     highest occupied level (ev):    -3.2220

!    total energy              =     -12.17492153 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01112701    0.00037681    0.07428272
     atom    2 type  2   force =     0.00755942    0.01763630   -0.02822110
     atom    3 type  2   force =    -0.00016513    0.00685979   -0.04017923
     atom    4 type  2   force =    -0.03015832    0.01392186   -0.00415184
     atom    5 type  2   force =     0.01163702   -0.03879476   -0.00173055

     Total force =     0.105981     Total SCF correction =     0.000114

     Entering Dynamics:    iteration =    47
                           time      =   0.0068 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4454412039        9.4549225194        9.4746984656
H            11.3194793713       11.0681313161       10.8463143067
H             9.3852281161        9.4476485594        6.8535871256
H             7.1695364233        9.9952533624       10.8437624688
H            10.0111714923        7.1080901560       10.6626549949


     kinetic energy (Ekin) =           0.01312211 Ry
     temperature           =         345.30283946 K 
     Ekin + Etot (const)   =         -12.16179942 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17556243 Ry
     estimated scf accuracy    <       0.00001133 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17556405 Ry
     estimated scf accuracy    <       0.00000323 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     total energy              =     -12.17556454 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.99E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2698  -4.5407  -3.5101  -3.2339

     highest occupied level (ev):    -3.2339

!    total energy              =     -12.17556466 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01208919   -0.00155899    0.07128487
     atom    2 type  2   force =     0.00830154    0.01820701   -0.02718751
     atom    3 type  2   force =    -0.00017754    0.00683939   -0.03959522
     atom    4 type  2   force =    -0.03162215    0.01419211   -0.00281286
     atom    5 type  2   force =     0.01140896   -0.03767952   -0.00168929

     Total force =     0.103664     Total SCF correction =     0.000105

     Entering Dynamics:    iteration =    48
                           time      =   0.0070 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4453815602        9.4550279103        9.4756125944
H            11.3204303206       11.0688392051       10.8355408602
H             9.3847517338        9.4489784470        6.8528221099
H             7.1696436478        9.9959628737       10.8362940261
H            10.0122648548        7.1023828605       10.6559876785


     kinetic energy (Ekin) =           0.01376457 Ry
     temperature           =         362.20906726 K 
     Ekin + Etot (const)   =         -12.16180008 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17623127 Ry
     estimated scf accuracy    <       0.00001201 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17623297 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17623349 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.07E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2715  -4.5305  -3.5210  -3.2454

     highest occupied level (ev):    -3.2454

!    total energy              =     -12.17623361 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01298536   -0.00362215    0.06813189
     atom    2 type  2   force =     0.00903309    0.01876487   -0.02615409
     atom    3 type  2   force =    -0.00018444    0.00681353   -0.03875014
     atom    4 type  2   force =    -0.03297409    0.01443296   -0.00152405
     atom    5 type  2   force =     0.01114008   -0.03638922   -0.00170361

     Total force =     0.101186     Total SCF correction =     0.000109

     Entering Dynamics:    iteration =    49
                           time      =   0.0071 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4453264818        9.4551320276        9.4765506769
H            11.3214704666       11.0697323867       10.8245091567
H             9.3842735302        9.4503756145        6.8516744584
H             7.1694252716        9.9968149024       10.8288105342
H            10.0134682193        7.0963162419       10.6493035399


     kinetic energy (Ekin) =           0.01443282 Ry
     temperature           =         379.79369266 K 
     Ekin + Etot (const)   =         -12.16180079 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17692385 Ry
     estimated scf accuracy    <       0.00001314 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17692535 Ry
     estimated scf accuracy    <       0.00000355 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17692592 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2727  -4.5192  -3.5317  -3.2565

     highest occupied level (ev):    -3.2565

!    total energy              =     -12.17692605 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01380965   -0.00580030    0.06483648
     atom    2 type  2   force =     0.00975055    0.01930577   -0.02512610
     atom    3 type  2   force =    -0.00018760    0.00678250   -0.03764975
     atom    4 type  2   force =    -0.03420258    0.01464017   -0.00029136
     atom    5 type  2   force =     0.01082998   -0.03492814   -0.00176928

     Total force =     0.098567     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =    50
                           time      =   0.0073 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4452762587        9.4552341058        9.4775115545
H            11.3226068938       11.0708162020       10.8132293472
H             9.3837934741        9.4518397554        6.8501550368
H             7.1688691641        9.9978114946       10.8213241654
H            10.0147785238        7.0899047276       10.6426019308


     kinetic energy (Ekin) =           0.01512450 Ry
     temperature           =         397.99503609 K 
     Ekin + Etot (const)   =         -12.16180155 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17763687 Ry
     estimated scf accuracy    <       0.00001363 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17763844 Ry
     estimated scf accuracy    <       0.00000373 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     total energy              =     -12.17763902 Ry
     estimated scf accuracy    <       0.00000035 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.36E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2734  -4.5070  -3.5423  -3.2671

     highest occupied level (ev):    -3.2671

!    total energy              =     -12.17763916 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01454837   -0.00808195    0.06142934
     atom    2 type  2   force =     0.01045265    0.01982528   -0.02410467
     atom    3 type  2   force =    -0.00018532    0.00674404   -0.03632033
     atom    4 type  2   force =    -0.03529715    0.01481232    0.00087963
     atom    5 type  2   force =     0.01048144   -0.03329970   -0.00188397

     Total force =     0.095848     Total SCF correction =     0.000128

     Entering Dynamics:    iteration =    51
                           time      =   0.0074 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4452311504        9.4553333425        9.4784940294
H            11.3238465351       11.0720957807       10.8017115177
H             9.3833115882        9.4533704899        6.8482769723
H             7.1679645172        9.9989543501       10.8138464824
H            10.0161923266        7.0831643974       10.6358817184


     kinetic energy (Ekin) =           0.01583680 Ry
     temperature           =         416.73874030 K 
     Ekin + Etot (const)   =         -12.16180237 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17836730 Ry
     estimated scf accuracy    <       0.00001431 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17836891 Ry
     estimated scf accuracy    <       0.00000394 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17836953 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2736  -4.4937  -3.5527  -3.2773

     highest occupied level (ev):    -3.2773

!    total energy              =     -12.17836968 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01519659   -0.01045247    0.05792608
     atom    2 type  2   force =     0.01113289    0.02032045   -0.02309423
     atom    3 type  2   force =    -0.00017830    0.00669818   -0.03477537
     atom    4 type  2   force =    -0.03624675    0.01494673    0.00198476
     atom    5 type  2   force =     0.01009557   -0.03151289   -0.00204123

     Total force =     0.093061     Total SCF correction =     0.000139

     Entering Dynamics:    iteration =    52
                           time      =   0.0075 pico-seconds


     Velocity rescaling: T ( 416.7K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4451982208        9.4554138654        9.4793479804
H            11.3250082457       11.0733820985       10.7917111178
H             9.3829009691        9.4547353896        6.8463401322
H             7.1668390488       10.0000716019       10.8075216050
H            10.0174915624        7.0771343600       10.6301597663


     kinetic energy (Ekin) =           0.01197332 Ry
     temperature           =         315.07293392 K 
     Ekin + Etot (const)   =         -12.16639636 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17900919 Ry
     estimated scf accuracy    <       0.00001045 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17901048 Ry
     estimated scf accuracy    <       0.00000306 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17901096 Ry
     estimated scf accuracy    <       0.00000031 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.90E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2733  -4.4815  -3.5615  -3.2854

     highest occupied level (ev):    -3.2854

!    total energy              =     -12.17901107 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01564569   -0.01253356    0.05485609
     atom    2 type  2   force =     0.01168506    0.02071342   -0.02224990
     atom    3 type  2   force =    -0.00017074    0.00665188   -0.03324322
     atom    4 type  2   force =    -0.03689417    0.01502018    0.00285047
     atom    5 type  2   force =     0.00973417   -0.02985193   -0.00221344

     Total force =     0.090591     Total SCF correction =     0.000109

     Entering Dynamics:    iteration =    53
                           time      =   0.0077 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451707920        9.4554899819        9.4802212177
H            11.3262853398       11.0748729497       10.7814910127
H             9.3824886640        9.4561659730        6.8440750340
H             7.1653492713       10.0013371696       10.8012248744
H            10.0188869177        7.0708095516       10.6244159578


     kinetic energy (Ekin) =           0.01261393 Ry
     temperature           =         331.93024708 K 
     Ekin + Etot (const)   =         -12.16639715 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        1.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17967095 Ry
     estimated scf accuracy    <       0.00001173 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17967218 Ry
     estimated scf accuracy    <       0.00000323 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        1.9 secs

     total energy              =     -12.17967270 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2726  -4.4685  -3.5699  -3.2931

     highest occupied level (ev):    -3.2931

!    total energy              =     -12.17967282 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01599549   -0.01467400    0.05170952
     atom    2 type  2   force =     0.01220515    0.02107297   -0.02142451
     atom    3 type  2   force =    -0.00015644    0.00660231   -0.03150612
     atom    4 type  2   force =    -0.03738561    0.01505446    0.00364318
     atom    5 type  2   force =     0.00934141   -0.02805573   -0.00242207

     Total force =     0.088041     Total SCF correction =     0.000130

     Entering Dynamics:    iteration =    54
                           time      =   0.0078 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451489868        9.4555609392        9.4811126350
H            11.3276829529       11.0765718846       10.7710593526
H             9.3820748142        9.4576617504        6.8414988306
H             7.1634903318       10.0027513916       10.7949641181
H            10.0203745141        7.0642077086       10.6186482326


     kinetic energy (Ekin) =           0.01327487 Ry
     temperature           =         349.32262996 K 
     Ekin + Etot (const)   =         -12.16639795 Ry

     Linear momentum :   -0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18034905 Ry
     estimated scf accuracy    <       0.00001226 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.53E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18035034 Ry
     estimated scf accuracy    <       0.00000339 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.24E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18035088 Ry
     estimated scf accuracy    <       0.00000030 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.78E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2714  -4.4547  -3.5781  -3.3003

     highest occupied level (ev):    -3.3003

!    total energy              =     -12.18035101 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01623400   -0.01685960    0.04848566
     atom    2 type  2   force =     0.01269137    0.02139692   -0.02061034
     atom    3 type  2   force =    -0.00014070    0.00654453   -0.02957837
     atom    4 type  2   force =    -0.03770255    0.01504429    0.00436125
     atom    5 type  2   force =     0.00891787   -0.02612614   -0.00265820

     Total force =     0.085417     Total SCF correction =     0.000134

     Entering Dynamics:    iteration =    55
                           time      =   0.0080 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451328892        9.4556259691        9.4820210988
H            11.3292058861       11.0784821020       10.7604241771
H             9.3816595750        9.4592221515        6.8386305574
H             7.1612591008       10.0043141675       10.7887464267
H            10.0219501696        7.0573478847       10.6128542593


     kinetic energy (Ekin) =           0.01395219 Ry
     temperature           =         367.14597059 K 
     Ekin + Etot (const)   =         -12.16639883 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18103936 Ry
     estimated scf accuracy    <       0.00001301 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18104070 Ry
     estimated scf accuracy    <       0.00000359 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18104128 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.97E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2697  -4.4400  -3.5860  -3.3070

     highest occupied level (ev):    -3.3070

!    total energy              =     -12.18104141 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01636357   -0.01907290    0.04522681
     atom    2 type  2   force =     0.01313943    0.02168471   -0.01981919
     atom    3 type  2   force =    -0.00012174    0.00647851   -0.02748702
     atom    4 type  2   force =    -0.03784642    0.01498884    0.00499984
     atom    5 type  2   force =     0.00846515   -0.02407916   -0.00292044

     Total force =     0.082778     Total SCF correction =     0.000140

     Entering Dynamics:    iteration =    56
                           time      =   0.0081 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451225446        9.4556842934        9.4829454633
H            11.3308585639       11.0806064438       10.7495932981
H             9.3812431337        9.4608465241        6.8354908654
H             7.1586541577       10.0060249498       10.7825781059
H            10.0236094137        7.0502502926       10.6070314482


     kinetic energy (Ekin) =           0.01464160 Ry
     temperature           =         385.28767594 K 
     Ekin + Etot (const)   =         -12.16639981 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.0 secs

     total energy              =     -12.18173740 Ry
     estimated scf accuracy    <       0.00001380 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18173878 Ry
     estimated scf accuracy    <       0.00000380 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.74E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18173939 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.18E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2676  -4.4246  -3.5937  -3.3133

     highest occupied level (ev):    -3.3133

!    total energy              =     -12.18173954 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01637963   -0.02130140    0.04193490
     atom    2 type  2   force =     0.01354613    0.02193236   -0.01905082
     atom    3 type  2   force =    -0.00010046    0.00640495   -0.02524070
     atom    4 type  2   force =    -0.03781202    0.01488821    0.00555903
     atom    5 type  2   force =     0.00798672   -0.02192411   -0.00320242

     Total force =     0.080145     Total SCF correction =     0.000144

     Entering Dynamics:    iteration =    57
                           time      =   0.0083 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451179588        9.4557351285        9.4838845713
H            11.3326450021       11.0829473553       10.7385743031
H             9.3808257004        9.4625341420        6.8321019356
H             7.1556758421       10.0078827448       10.7764646774
H            10.0253475222        7.0429362122       10.6011770151


     kinetic energy (Ekin) =           0.01533867 Ry
     temperature           =         403.63079098 K 
     Ekin + Etot (const)   =         -12.16640087 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18243849 Ry
     estimated scf accuracy    <       0.00001463 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.83E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18243991 Ry
     estimated scf accuracy    <       0.00000400 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.00E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18244057 Ry
     estimated scf accuracy    <       0.00000035 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2652  -4.4086  -3.6011  -3.3190

     highest occupied level (ev):    -3.3190

!    total energy              =     -12.18244073 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01628076   -0.02353073    0.03862447
     atom    2 type  2   force =     0.01390813    0.02213729   -0.01830735
     atom    3 type  2   force =    -0.00007730    0.00632365   -0.02285663
     atom    4 type  2   force =    -0.03759675    0.01474192    0.00603844
     atom    5 type  2   force =     0.00748516   -0.01967213   -0.00349894

     Total force =     0.077552     Total SCF correction =     0.000149

     Entering Dynamics:    iteration =    58
                           time      =   0.0084 pico-seconds


     Velocity rescaling: T ( 403.6K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4451197292        9.4557706817        9.4847077760
H            11.3343224640       11.0851840988       10.7288938156
H             9.3804650589        9.4640515162        6.8289545699
H             7.1527369254       10.0096299580       10.7712537853
H            10.0269198946        7.0364363349       10.5960952322


     kinetic energy (Ekin) =           0.01196255 Ry
     temperature           =         314.78942332 K 
     Ekin + Etot (const)   =         -12.17047818 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18304937 Ry
     estimated scf accuracy    <       0.00001112 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18305052 Ry
     estimated scf accuracy    <       0.00000322 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.02E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.1 secs

     total energy              =     -12.18305105 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.99E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2627  -4.3941  -3.6072  -3.3236

     highest occupied level (ev):    -3.3236

!    total energy              =     -12.18305117 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01608110   -0.02543694    0.03577608
     atom    2 type  2   force =     0.01417342    0.02227104   -0.01769450
     atom    3 type  2   force =    -0.00005786    0.00624394   -0.02068352
     atom    4 type  2   force =    -0.03722777    0.01456891    0.00636954
     atom    5 type  2   force =     0.00703111   -0.01764694   -0.00376760

     Total force =     0.075340     Total SCF correction =     0.000116

     Entering Dynamics:    iteration =    59
                           time      =   0.0086 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451271534        9.4557972918        9.4855435588
H            11.3361398803       11.0876407562       10.7190386049
H             9.3801038460        9.4656305457        6.8256029662
H             7.1494304054       10.0115210310       10.7661057890
H            10.0285616954        7.0297622039       10.5909762465


     kinetic energy (Ekin) =           0.01257200 Ry
     temperature           =         330.82701341 K 
     Ekin + Etot (const)   =         -12.17047917 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18366369 Ry
     estimated scf accuracy    <       0.00001205 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18366485 Ry
     estimated scf accuracy    <       0.00000345 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18366543 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2598  -4.3791  -3.6129  -3.3277

     highest occupied level (ev):    -3.3277

!    total energy              =     -12.18366557 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01576821   -0.02732191    0.03291608
     atom    2 type  2   force =     0.01438809    0.02235561   -0.01710482
     atom    3 type  2   force =    -0.00003558    0.00616010   -0.01839469
     atom    4 type  2   force =    -0.03668010    0.01435113    0.00662663
     atom    5 type  2   force =     0.00655938   -0.01554493   -0.00404320

     Total force =     0.073148     Total SCF correction =     0.000121

     Entering Dynamics:    iteration =    60
                           time      =   0.0087 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451401213        9.4558142961        9.4863909143
H            11.3380993710       11.0903181627       10.7090144937
H             9.3797422819        9.4672704027        6.8220697251
H             7.1457616900       10.0135538133       10.7610232269
H            10.0302682662        7.0229345756       10.5858173364


     kinetic energy (Ekin) =           0.01318539 Ry
     temperature           =         346.96801034 K 
     Ekin + Etot (const)   =         -12.17048018 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18427764 Ry
     estimated scf accuracy    <       0.00001279 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18427883 Ry
     estimated scf accuracy    <       0.00000365 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18427945 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.56E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2566  -4.3636  -3.6182  -3.3314

     highest occupied level (ev):    -3.3314

!    total energy              =     -12.18427960 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01534410   -0.02917036    0.03007007
     atom    2 type  2   force =     0.01455048    0.02239138   -0.01654274
     atom    3 type  2   force =    -0.00001272    0.00606940   -0.01601252
     atom    4 type  2   force =    -0.03595351    0.01408817    0.00680804
     atom    5 type  2   force =     0.00607165   -0.01337859   -0.00432285

     Total force =     0.071011     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    61
                           time      =   0.0089 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451584839        9.4558210447        9.4872488417
H            11.3402025395       11.0932166716       10.6988270322
H             9.3793805922        9.4689701917        6.8183783694
H             7.1417379538       10.0157257085       10.7560078904
H            10.0320347913        7.0159748412       10.5806157405


     kinetic energy (Ekin) =           0.01379834 Ry
     temperature           =         363.09749979 K 
     Ekin + Etot (const)   =         -12.17048126 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18488695 Ry
     estimated scf accuracy    <       0.00001409 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.76E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18488812 Ry
     estimated scf accuracy    <       0.00000375 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.68E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.2 secs

     total energy              =     -12.18488878 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.13E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2530  -4.3476  -3.6231  -3.3345

     highest occupied level (ev):    -3.3345

!    total energy              =     -12.18488893 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01481219   -0.03097277    0.02723994
     atom    2 type  2   force =     0.01465907    0.02237675   -0.01601219
     atom    3 type  2   force =     0.00001206    0.00597582   -0.01354425
     atom    4 type  2   force =    -0.03505628    0.01378324    0.00691867
     atom    5 type  2   force =     0.00557297   -0.01116304   -0.00460217

     Total force =     0.068960     Total SCF correction =     0.000144

     Entering Dynamics:    iteration =    62
                           time      =   0.0090 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451820542        9.4558169039        9.4881163461
H            11.3424504581       11.0963361383       10.6884814594
H             9.3790190215        9.4707289885        6.8145532719
H             7.1373680566       10.0180337054       10.7510608719
H            10.0338563462        7.0089048779       10.5753687008


     kinetic energy (Ekin) =           0.01440654 Ry
     temperature           =         379.10216791 K 
     Ekin + Etot (const)   =         -12.17048238 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18548722 Ry
     estimated scf accuracy    <       0.00001469 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.84E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18548843 Ry
     estimated scf accuracy    <       0.00000390 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18548913 Ry
     estimated scf accuracy    <       0.00000035 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.31E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2491  -4.3313  -3.6276  -3.3374

     highest occupied level (ev):    -3.3374

!    total energy              =     -12.18548928 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01417553   -0.03271362    0.02445388
     atom    2 type  2   force =     0.01471088    0.02231032   -0.01550820
     atom    3 type  2   force =     0.00003467    0.00587144   -0.01102556
     atom    4 type  2   force =    -0.03398176    0.01343216    0.00695690
     atom    5 type  2   force =     0.00506067   -0.00890031   -0.00487702

     Total force =     0.067022     Total SCF correction =     0.000146

     Entering Dynamics:    iteration =    63
                           time      =   0.0091 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4452106083        9.4558012618        9.4889924479
H            11.3448436383       11.0996759069       10.6779827519
H             9.3786577932        9.4725457626        6.8106193031
H             7.1326626086       10.0204743373       10.7461825488
H            10.0357278725        7.0017470292       10.5700735033


     kinetic energy (Ekin) =           0.01500574 Ry
     temperature           =         394.86983513 K 
     Ekin + Etot (const)   =         -12.17048354 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18607439 Ry
     estimated scf accuracy    <       0.00001548 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18607562 Ry
     estimated scf accuracy    <       0.00000408 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.10E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18607636 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.53E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2449  -4.3146  -3.6318  -3.3398

     highest occupied level (ev):    -3.3398

!    total energy              =     -12.18607652 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01343940   -0.03438445    0.02171197
     atom    2 type  2   force =     0.01470502    0.02219084   -0.01503408
     atom    3 type  2   force =     0.00005644    0.00576016   -0.00846315
     atom    4 type  2   force =    -0.03274065    0.01303886    0.00692869
     atom    5 type  2   force =     0.00453979   -0.00660541   -0.00514344

     Total force =     0.065226     Total SCF correction =     0.000148

     Entering Dynamics:    iteration =    64
                           time      =   0.0093 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4452438874        9.4557735308        9.4898761833
H            11.3473820224       11.1032347976       10.6673355912
H             9.3782971222        9.4744194149        6.8066017656
H             7.1276338651       10.0230437207       10.7413726427
H            10.0376442266        6.9945239557       10.5647275172


     kinetic energy (Ekin) =           0.01559177 Ry
     temperature           =         410.29103746 K 
     Ekin + Etot (const)   =         -12.17048474 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18664449 Ry
     estimated scf accuracy    <       0.00001626 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18664574 Ry
     estimated scf accuracy    <       0.00000426 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.3 secs

     total energy              =     -12.18664652 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.75E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2405  -4.2976  -3.6356  -3.3419

     highest occupied level (ev):    -3.3419

!    total energy              =     -12.18664669 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01260963   -0.03597507    0.01902266
     atom    2 type  2   force =     0.01464014    0.02201719   -0.01459011
     atom    3 type  2   force =     0.00007689    0.00564201   -0.00587297
     atom    4 type  2   force =    -0.03133948    0.01260496    0.00683821
     atom    5 type  2   force =     0.00401281   -0.00428910   -0.00539779

     Total force =     0.063599     Total SCF correction =     0.000150

     Entering Dynamics:    iteration =    65
                           time      =   0.0094 pico-seconds


     Velocity rescaling: T ( 410.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4452767774        9.4557371701        9.4906385493
H            11.3496971463       11.1064953964       10.6580871831
H             9.3779894733        9.4760772783        6.8031083951
H             7.1230243495       10.0253652557       10.7373272372
H            10.0393225167        6.9883051858       10.5601028884


     kinetic energy (Ekin) =           0.01185121 Ry
     temperature           =         311.85972020 K 
     Ekin + Etot (const)   =         -12.17479548 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18712067 Ry
     estimated scf accuracy    <       0.00001200 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18712165 Ry
     estimated scf accuracy    <       0.00000334 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18712226 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.27E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2366  -4.2829  -3.6387  -3.3434

     highest occupied level (ev):    -3.3434

!    total energy              =     -12.18712240 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01181191   -0.03724687    0.01679057
     atom    2 type  2   force =     0.01452780    0.02181709   -0.01424130
     atom    3 type  2   force =     0.00009095    0.00553200   -0.00364426
     atom    4 type  2   force =    -0.02998848    0.01219586    0.00669866
     atom    5 type  2   force =     0.00355782   -0.00229808   -0.00560367

     Total force =     0.062328     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =    66
                           time      =   0.0096 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4453138203        9.4556877141        9.4914068186
H            11.3521557241       11.1099714266       10.6486981500
H             9.3776827226        9.4777897670        6.7995790396
H             7.1181187145       10.0278072180       10.7333479773
H            10.0410359381        6.9820637236       10.5554229266


     kinetic energy (Ekin) =           0.01232584 Ry
     temperature           =         324.34941936 K 
     Ekin + Etot (const)   =         -12.17479656 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18758412 Ry
     estimated scf accuracy    <       0.00001283 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18758510 Ry
     estimated scf accuracy    <       0.00000354 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.42E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18758576 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.53E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2324  -4.2679  -3.6412  -3.3445

     highest occupied level (ev):    -3.3445

!    total energy              =     -12.18758591 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01093325   -0.03842778    0.01460946
     atom    2 type  2   force =     0.01435574    0.02156135   -0.01391810
     atom    3 type  2   force =     0.00010471    0.00541974   -0.00140687
     atom    4 type  2   force =    -0.02849448    0.01174943    0.00650860
     atom    5 type  2   force =     0.00310078   -0.00030273   -0.00579309

     Total force =     0.061166     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =    67
                           time      =   0.0097 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4453547071        9.4556247478        9.4921802242
H            11.3547560569       11.1136603630       10.6391716836
H             9.3773770058        9.4795557726        6.7960357921
H             7.1129317125       10.0303651993       10.7294329860
H            10.0427799780        6.9758192721       10.5506857613


     kinetic energy (Ekin) =           0.01278827 Ry
     temperature           =         336.51799261 K 
     Ekin + Etot (const)   =         -12.17479764 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.4 secs

     total energy              =     -12.18803264 Ry
     estimated scf accuracy    <       0.00001398 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.75E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18803358 Ry
     estimated scf accuracy    <       0.00000358 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.48E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18803427 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2280  -4.2529  -3.6433  -3.3453

     highest occupied level (ev):    -3.3453

!    total energy              =     -12.18803442 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00998101   -0.03951075    0.01248859
     atom    2 type  2   force =     0.01412491    0.02125229   -0.01362567
     atom    3 type  2   force =     0.00011762    0.00530626    0.00083013
     atom    4 type  2   force =    -0.02686937    0.01126977    0.00627151
     atom    5 type  2   force =     0.00264583    0.00168244   -0.00596456

     Total force =     0.060134     Total SCF correction =     0.000134

     Entering Dynamics:    iteration =    68
                           time      =   0.0099 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4453991030        9.4555478904        9.4929580206
H            11.3574958652       11.1175591539       10.6295106712
H             9.3770724505        9.4813741745        6.7925007416
H             7.1074793906       10.0330344633       10.7255799225
H            10.0445501440        6.9695914338       10.5458896993


     kinetic energy (Ekin) =           0.01323568 Ry
     temperature           =         348.29151746 K 
     Ekin + Etot (const)   =         -12.17479873 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18846351 Ry
     estimated scf accuracy    <       0.00001441 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.80E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18846449 Ry
     estimated scf accuracy    <       0.00000369 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18846520 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.15E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2234  -4.2377  -3.6451  -3.3458

     highest occupied level (ev):    -3.3458

!    total energy              =     -12.18846535 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00896107   -0.04048630    0.01044509
     atom    2 type  2   force =     0.01383555    0.02088903   -0.01335710
     atom    3 type  2   force =     0.00012622    0.00518366    0.00304083
     atom    4 type  2   force =    -0.02511327    0.01075596    0.00598745
     atom    5 type  2   force =     0.00219044    0.00365764   -0.00611626

     Total force =     0.059234     Total SCF correction =     0.000134

     Entering Dynamics:    iteration =    69
                           time      =   0.0100 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4454466494        9.4554567988        9.4937394892
H            11.3603722917       11.1216642122       10.6197177650
H             9.3767691415        9.4832437622        6.7889957177
H             7.1017790893       10.0358099363       10.7217859816
H            10.0463419393        6.9633997126       10.5410332426


     kinetic energy (Ekin) =           0.01366552 Ry
     temperature           =         359.60239410 K 
     Ekin + Etot (const)   =         -12.17479983 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18887450 Ry
     estimated scf accuracy    <       0.00001500 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.87E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18887549 Ry
     estimated scf accuracy    <       0.00000382 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.5 secs

     total energy              =     -12.18887623 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2187  -4.2225  -3.6467  -3.3462

     highest occupied level (ev):    -3.3462

!    total energy              =     -12.18887639 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00788212   -0.04135079    0.00847586
     atom    2 type  2   force =     0.01348841    0.02047261   -0.01311459
     atom    3 type  2   force =     0.00013168    0.00505609    0.00521998
     atom    4 type  2   force =    -0.02324100    0.01021204    0.00566428
     atom    5 type  2   force =     0.00173879    0.00561006   -0.00624552

     Total force =     0.058479     Total SCF correction =     0.000135

     Entering Dynamics:    iteration =    70
                           time      =   0.0102 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4454969670        9.4553511692        9.4945239377
H            11.3633819088       11.1259714261       10.6097953595
H             9.3764671327        9.4851632760        6.7855422381
H             7.0958492961       10.0386862475       10.7180479723
H            10.0481509042        6.9572633876       10.5361151148


     kinetic energy (Ekin) =           0.01407543 Ry
     temperature           =         370.38920821 K 
     Ekin + Etot (const)   =         -12.17480096 Ry

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18926360 Ry
     estimated scf accuracy    <       0.00001554 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18926460 Ry
     estimated scf accuracy    <       0.00000394 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18926537 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.44E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2139  -4.2074  -3.6479  -3.3462

     highest occupied level (ev):    -3.3462

!    total energy              =     -12.18926553 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00675246   -0.04209946    0.00658364
     atom    2 type  2   force =     0.01308419    0.02000356   -0.01289707
     atom    3 type  2   force =     0.00013367    0.00492372    0.00735637
     atom    4 type  2   force =    -0.02126312    0.00964055    0.00530739
     atom    5 type  2   force =     0.00129280    0.00753163   -0.00635034

     Total force =     0.057873     Total SCF correction =     0.000136

     Entering Dynamics:    iteration =    71
                           time      =   0.0103 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4455496586        9.4552307383        9.4953107010
H            11.3665207248       11.1304761640       10.5997456027
H             9.3761664438        9.4871314087        6.7821613985
H             7.0897095416       10.0416577537       10.7143623705
H            10.0499726347        6.9512014331       10.5311342811


     kinetic energy (Ekin) =           0.01446343 Ry
     temperature           =         380.59907067 K 
     Ekin + Etot (const)   =         -12.17480211 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18962910 Ry
     estimated scf accuracy    <       0.00001606 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18963011 Ry
     estimated scf accuracy    <       0.00000406 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18963091 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.57E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2091  -4.1922  -3.6489  -3.3460

     highest occupied level (ev):    -3.3460

!    total energy              =     -12.18963108 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00558060   -0.04272826    0.00477045
     atom    2 type  2   force =     0.01262402    0.01948276   -0.01270325
     atom    3 type  2   force =     0.00013186    0.00478676    0.00943930
     atom    4 type  2   force =    -0.01919076    0.00904419    0.00492235
     atom    5 type  2   force =     0.00085428    0.00941455   -0.00642885

     Total force =     0.057419     Total SCF correction =     0.000137

     Entering Dynamics:    iteration =    72
                           time      =   0.0104 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4456043122        9.4550952850        9.4960991414
H            11.3697841960       11.1351732832       10.5895704084
H             9.3758670569        9.4891468080        6.7788737667
H             7.0833802891       10.0447185661       10.7107253741
H            10.0518028008        6.9452324420       10.5260899661


     kinetic energy (Ekin) =           0.01482780 Ry
     temperature           =         390.18746645 K 
     Ekin + Etot (const)   =         -12.17480327 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18996964 Ry
     estimated scf accuracy    <       0.00001653 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.07E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18997066 Ry
     estimated scf accuracy    <       0.00000416 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.6 secs

     total energy              =     -12.18997149 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.69E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2041  -4.1772  -3.6497  -3.3456

     highest occupied level (ev):    -3.3456

!    total energy              =     -12.18997166 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00437518   -0.04323381    0.00303770
     atom    2 type  2   force =     0.01210932    0.01891134   -0.01253167
     atom    3 type  2   force =     0.00012595    0.00464542    0.01145868
     atom    4 type  2   force =    -0.01703544    0.00842572    0.00451471
     atom    5 type  2   force =     0.00042500    0.01125133   -0.00647941

     Total force =     0.057115     Total SCF correction =     0.000138

     Entering Dynamics:    iteration =    73
                           time      =   0.0106 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4456605041        9.4549446317        9.4968886498
H            11.3731672399       11.1400571412       10.5792714710
H             9.3755689137        9.4912080781        6.7756992830
H             7.0768828212       10.0478625779       10.7071329579
H            10.0536371635        6.9393745514       10.5209816705


     kinetic energy (Ekin) =           0.01516721 Ry
     temperature           =         399.11871624 K 
     Ekin + Etot (const)   =         -12.17480446 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.7 secs

     total energy              =     -12.19028421 Ry
     estimated scf accuracy    <       0.00001695 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.12E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.7 secs

     total energy              =     -12.19028525 Ry
     estimated scf accuracy    <       0.00000426 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.7 secs

     total energy              =     -12.19028610 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.80E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1991  -4.1623  -3.6502  -3.3449

     highest occupied level (ev):    -3.3449

!    total energy              =     -12.19028627 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00314482   -0.04361343    0.00138619
     atom    2 type  2   force =     0.01154182    0.01829068   -0.01238067
     atom    3 type  2   force =     0.00011564    0.00449993    0.01340504
     atom    4 type  2   force =    -0.01480894    0.00778800    0.00409001
     atom    5 type  2   force =     0.00000666    0.01303482   -0.00650057

     Total force =     0.056954     Total SCF correction =     0.000139

     Entering Dynamics:    iteration =    74
                           time      =   0.0107 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4457178016        9.4547786448        9.4976786455
H            11.3766642528       11.1451216095       10.5688502814
H             9.3752719123        9.4933137826        6.7726571664
H             7.0702391234       10.0510834917       10.7035809283
H            10.0554715918        6.9336453724       10.5158091855


     kinetic energy (Ekin) =           0.01548063 Ry
     temperature           =         407.36625057 K 
     Ekin + Etot (const)   =         -12.17480565 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.7 secs

     total energy              =     -12.19057215 Ry
     estimated scf accuracy    <       0.00001733 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.7 secs

     total energy              =     -12.19057319 Ry
     estimated scf accuracy    <       0.00000434 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.7 secs

     total energy              =     -12.19057406 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.89E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1941  -4.1475  -3.6506  -3.3441

     highest occupied level (ev):    -3.3441

!    total energy              =     -12.19057425 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00189812   -0.04386505   -0.00018377
     atom    2 type  2   force =     0.01092351    0.01762238   -0.01224846
     atom    3 type  2   force =     0.00010066    0.00435053    0.01526958
     atom    4 type  2   force =    -0.01252317    0.00713391    0.00365371
     atom    5 type  2   force =    -0.00039913    0.01475823   -0.00649105

     Total force =     0.056929     Total SCF correction =     0.000140

     Entering Dynamics:    iteration =    75
                           time      =   0.0109 pico-seconds


     Velocity rescaling: T ( 407.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4457676394        9.4546207795        9.4983565234
H            11.3797731118       11.1496417431       10.5597862900
H             9.3750180317        9.4951637722        6.7701973231
H             7.0644141106       10.0539179935       10.7005687980
H            10.0570418832        6.9288745511       10.5113062719


     kinetic energy (Ekin) =           0.01162839 Ry
     temperature           =         305.99614199 K 
     Ekin + Etot (const)   =         -12.17894586 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19080100 Ry
     estimated scf accuracy    <       0.00001249 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19080184 Ry
     estimated scf accuracy    <       0.00000334 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.18E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19080250 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1900  -4.1351  -3.6510  -3.3433

     highest occupied level (ev):    -3.3433

!    total energy              =     -12.19080264 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00081711   -0.04395363   -0.00143989
     atom    2 type  2   force =     0.01034902    0.01700816   -0.01215333
     atom    3 type  2   force =     0.00008176    0.00421584    0.01677941
     atom    4 type  2   force =    -0.01051482    0.00656087    0.00326803
     atom    5 type  2   force =    -0.00073308    0.01616876   -0.00645423

     Total force =     0.056974     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =    76
                           time      =   0.0110 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4458177644        9.4544474611        9.4990338951
H            11.3829841616       11.1543298227       10.5506022913
H             9.3747649584        9.4970553909        6.7679031671
H             7.0584852698       10.0568172802       10.6975889376
H            10.0586049357        6.9242633873       10.5067396264


     kinetic energy (Ekin) =           0.01185580 Ry
     temperature           =         311.98057199 K 
     Ekin + Etot (const)   =         -12.17894684 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19101306 Ry
     estimated scf accuracy    <       0.00001291 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19101390 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19101459 Ry
     estimated scf accuracy    <       0.00000035 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.41E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1857  -4.1228  -3.6512  -3.3423

     highest occupied level (ev):    -3.3423

!    total energy              =     -12.19101474 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00027032   -0.04391587   -0.00262297
     atom    2 type  2   force =     0.00972748    0.01634892   -0.01207080
     atom    3 type  2   force =     0.00005900    0.00408174    0.01819906
     atom    4 type  2   force =    -0.00846348    0.00597418    0.00287919
     atom    5 type  2   force =    -0.00105268    0.01751103   -0.00638448

     Total force =     0.057054     Total SCF correction =     0.000113

     Entering Dynamics:    iteration =    77
                           time      =   0.0112 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4458677944        9.4542587028        9.4997103446
H            11.3862912649       11.1591793387       10.5412991002
H             9.3745124678        9.4989873146        6.7657887166
H             7.0524728570       10.0597755586       10.6946375077
H            10.0601575937        6.9198251351       10.5021099378


     kinetic energy (Ekin) =           0.01206697 Ry
     temperature           =         317.53743328 K 
     Ekin + Etot (const)   =         -12.17894776 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19120906 Ry
     estimated scf accuracy    <       0.00001365 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19120986 Ry
     estimated scf accuracy    <       0.00000340 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.8 secs

     total energy              =     -12.19121055 Ry
     estimated scf accuracy    <       0.00000030 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.79E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1814  -4.1107  -3.6512  -3.3410

     highest occupied level (ev):    -3.3410

!    total energy              =     -12.19121069 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00135769   -0.04375202   -0.00373051
     atom    2 type  2   force =     0.00906418    0.01565002   -0.01200426
     atom    3 type  2   force =     0.00003229    0.00394873    0.01952743
     atom    4 type  2   force =    -0.00638453    0.00537911    0.00249017
     atom    5 type  2   force =    -0.00135425    0.01877417   -0.00628283

     Total force =     0.057164     Total SCF correction =     0.000127

     Entering Dynamics:    iteration =    78
                           time      =   0.0113 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4459173470        9.4540545622        9.5003854825
H            11.3896878719       11.1641833899       10.5318773739
H             9.3742602960        9.5009582297        6.7638670885
H             7.0463974004       10.0627869525       10.6917106668
H            10.0616968792        6.9155722673       10.4974182098


     kinetic energy (Ekin) =           0.01226203 Ry
     temperature           =         322.67023375 K 
     Ekin + Etot (const)   =         -12.17894866 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.9 secs

     total energy              =     -12.19138911 Ry
     estimated scf accuracy    <       0.00001314 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.9 secs

     total energy              =     -12.19139000 Ry
     estimated scf accuracy    <       0.00000350 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.38E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.9 secs

     total energy              =     -12.19139069 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1774  -4.0989  -3.6516  -3.3398

     highest occupied level (ev):    -3.3398

!    total energy              =     -12.19139084 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00243581   -0.04345940   -0.00474789
     atom    2 type  2   force =     0.00836105    0.01491250   -0.01194216
     atom    3 type  2   force =    -0.00000226    0.00380604    0.02073801
     atom    4 type  2   force =    -0.00428052    0.00477610    0.00210194
     atom    5 type  2   force =    -0.00164247    0.01996477   -0.00614990

     Total force =     0.057283     Total SCF correction =     0.000116

     Entering Dynamics:    iteration =    79
                           time      =   0.0115 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4459660433        9.4538351423        9.5010589511
H            11.3931670395       11.1693346936       10.5223377255
H             9.3740081020        9.5029667273        6.7621502366
H             7.0402796761       10.0658455078       10.6888045813
H            10.0632199462        6.9115165402       10.4926657549


     kinetic energy (Ekin) =           0.01244128 Ry
     temperature           =         327.38710650 K 
     Ekin + Etot (const)   =         -12.17894956 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        2.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        2.9 secs

     total energy              =     -12.19155400 Ry
     estimated scf accuracy    <       0.00001398 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.75E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        2.9 secs

     total energy              =     -12.19155483 Ry
     estimated scf accuracy    <       0.00000349 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.9 secs

     total energy              =     -12.19155553 Ry
     estimated scf accuracy    <       0.00000031 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.87E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        2.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1733  -4.0874  -3.6518  -3.3384

     highest occupied level (ev):    -3.3384

!    total energy              =     -12.19155568 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00350248   -0.04304266   -0.00569757
     atom    2 type  2   force =     0.00762278    0.01414059   -0.01189556
     atom    3 type  2   force =    -0.00003997    0.00366839    0.02185466
     atom    4 type  2   force =    -0.00217183    0.00417024    0.00172236
     atom    5 type  2   force =    -0.00190851    0.02106345   -0.00598390

     Total force =     0.057413     Total SCF correction =     0.000133

     Entering Dynamics:    iteration =    80
                           time      =   0.0116 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4460135082        9.4536005894        9.5017304167
H            11.3967214779       11.1746256276       10.5126806151
H             9.3737555133        9.5050114481        6.7606491872
H             7.0341405063       10.0689452419       10.6859155032
H            10.0647241678        6.9076688030       10.4878542124


     kinetic energy (Ekin) =           0.01260523 Ry
     temperature           =         331.70130064 K 
     Ekin + Etot (const)   =         -12.17895045 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19170407 Ry
     estimated scf accuracy    <       0.00001338 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19170499 Ry
     estimated scf accuracy    <       0.00000357 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.46E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19170569 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1694  -4.0762  -3.6523  -3.3369

     highest occupied level (ev):    -3.3369

!    total energy              =     -12.19170585 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00454650   -0.04249947   -0.00656064
     atom    2 type  2   force =     0.00684869    0.01333406   -0.01184903
     atom    3 type  2   force =    -0.00008574    0.00352153    0.02284338
     atom    4 type  2   force =    -0.00005701    0.00356115    0.00135211
     atom    5 type  2   force =    -0.00215945    0.02208273   -0.00578581

     Total force =     0.057529     Total SCF correction =     0.000119

     Entering Dynamics:    iteration =    81
                           time      =   0.0118 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4460593746        9.4533510946        9.5023995756
H            11.4003435432       11.1800482280       10.5029065022
H             9.3735020780        9.5070909421        6.7593737034
H             7.0280007735       10.0720801403       10.6830397764
H            10.0662070661        6.9040391202       10.4829855382


     kinetic energy (Ekin) =           0.01275451 Ry
     temperature           =         335.62953479 K 
     Ekin + Etot (const)   =         -12.17895134 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19184030 Ry
     estimated scf accuracy    <       0.00001364 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19184122 Ry
     estimated scf accuracy    <       0.00000364 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19184194 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.61E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1656  -4.0652  -3.6529  -3.3353

     highest occupied level (ev):    -3.3353

!    total energy              =     -12.19184210 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00556704   -0.04183330   -0.00735856
     atom    2 type  2   force =     0.00604490    0.01249601   -0.01181079
     atom    3 type  2   force =    -0.00013643    0.00337852    0.02372881
     atom    4 type  2   force =     0.00204661    0.00295247    0.00099617
     atom    5 type  2   force =    -0.00238803    0.02300630   -0.00555562

     Total force =     0.057633     Total SCF correction =     0.000121

     Entering Dynamics:    iteration =    82
                           time      =   0.0119 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4461032838        9.4530868922        9.5030661474
H            11.4040252985       11.1855942195       10.4930157644
H             9.3732472955        9.5092037971        6.7583325282
H             7.0218812498       10.0752441927       10.6801738862
H            10.0676663840        6.9006366118       10.4780620054


     kinetic energy (Ekin) =           0.01288984 Ry
     temperature           =         339.19076187 K 
     Ekin + Etot (const)   =         -12.17895226 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19196348 Ry
     estimated scf accuracy    <       0.00001368 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19196442 Ry
     estimated scf accuracy    <       0.00000365 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.0 secs

     total energy              =     -12.19196514 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.63E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1619  -4.0546  -3.6538  -3.3336

     highest occupied level (ev):    -3.3336

!    total energy              =     -12.19196530 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00655680   -0.04104623   -0.00808043
     atom    2 type  2   force =     0.00521361    0.01163127   -0.01177520
     atom    3 type  2   force =    -0.00019284    0.00323178    0.02448963
     atom    4 type  2   force =     0.00413186    0.00234717    0.00065794
     atom    5 type  2   force =    -0.00259583    0.02383601   -0.00529194

     Total force =     0.057709     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =    83
                           time      =   0.0120 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4461448877        9.4528082587        9.5037298783
H            11.4077585353       11.1912550632       10.4830087530
H             9.3729906088        9.5113485641        6.7575331744
H             7.0158025259       10.0784314222       10.6773144927
H            10.0691000695        6.8974694705       10.4730862177


     kinetic energy (Ekin) =           0.01301212 Ry
     temperature           =         342.40848387 K 
     Ekin + Etot (const)   =         -12.17895318 Ry

     Linear momentum :    0.0000000000    0.0000000000   -0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.1 secs

     total energy              =     -12.19207454 Ry
     estimated scf accuracy    <       0.00001370 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.1 secs

     total energy              =     -12.19207550 Ry
     estimated scf accuracy    <       0.00000367 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.1 secs

     total energy              =     -12.19207622 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1584  -4.0443  -3.6549  -3.3318

     highest occupied level (ev):    -3.3318

!    total energy              =     -12.19207638 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00751133   -0.04014002   -0.00873244
     atom    2 type  2   force =     0.00435793    0.01074105   -0.01174025
     atom    3 type  2   force =    -0.00025527    0.00308354    0.02512829
     atom    4 type  2   force =     0.00619056    0.00174667    0.00034004
     atom    5 type  2   force =    -0.00278190    0.02456876   -0.00499563

     Total force =     0.057749     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    84
                           time      =   0.0122 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4461838509        9.4525155129        9.5043905391
H            11.4115348041       11.1970219688       10.4728858132
H             9.3727314014        9.5135237794        6.7569819483
H             7.0097849304       10.0816358990       10.6744584570
H            10.0705062854        6.8945449319       10.4680611009


     kinetic energy (Ekin) =           0.01312228 Ry
     temperature           =         345.30733100 K 
     Ekin + Etot (const)   =         -12.17895410 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.1 secs

     total energy              =     -12.19217446 Ry
     estimated scf accuracy    <       0.00001370 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.1 secs

     total energy              =     -12.19217544 Ry
     estimated scf accuracy    <       0.00000368 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.1 secs

     total energy              =     -12.19217616 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.67E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1550  -4.0343  -3.6563  -3.3299

     highest occupied level (ev):    -3.3299

!    total energy              =     -12.19217632 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00842630   -0.03911720   -0.00931701
     atom    2 type  2   force =     0.00348111    0.00982810   -0.01170390
     atom    3 type  2   force =    -0.00032376    0.00293392    0.02564263
     atom    4 type  2   force =     0.00821448    0.00115304    0.00004519
     atom    5 type  2   force =    -0.00294553    0.02520214   -0.00466691

     Total force =     0.057744     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    85
                           time      =   0.0123 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462198515        9.4522090143        9.5050479242
H            11.4153454470       11.2028859214       10.4626473041
H             9.3724689971        9.5157279654        6.7566839288
H             7.0038484483       10.0848517614       10.6716028675
H            10.0718834157        6.8918692503       10.4629899010


     kinetic energy (Ekin) =           0.01322130 Ry
     temperature           =         347.91300732 K 
     Ekin + Etot (const)   =         -12.17895502 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19226424 Ry
     estimated scf accuracy    <       0.00001367 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19226524 Ry
     estimated scf accuracy    <       0.00000369 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19226595 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.69E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1519  -4.0246  -3.6581  -3.3279

     highest occupied level (ev):    -3.3279

!    total energy              =     -12.19226612 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00929782   -0.03798060   -0.00983662
     atom    2 type  2   force =     0.00258649    0.00889523   -0.01166412
     atom    3 type  2   force =    -0.00039839    0.00278304    0.02603095
     atom    4 type  2   force =     0.01019580    0.00056826   -0.00022417
     atom    5 type  2   force =    -0.00308607    0.02573407   -0.00430605

     Total force =     0.057687     Total SCF correction =     0.000125

     Entering Dynamics:    iteration =    86
                           time      =   0.0125 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462525832        9.4518891625        9.5057018509
H            11.4191816301       11.2088377094       10.4522936182
H             9.3722026589        9.5179596324        6.7566429503
H             6.9980126439       10.0880732351       10.6687450645
H            10.0732300728        6.8894476782       10.4578761813


     kinetic energy (Ekin) =           0.01331018 Ry
     temperature           =         350.25177219 K 
     Ekin + Etot (const)   =         -12.17895594 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19234487 Ry
     estimated scf accuracy    <       0.00001362 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19234590 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19234661 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.71E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1489  -4.0153  -3.6603  -3.3258

     highest occupied level (ev):    -3.3258

!    total energy              =     -12.19234677 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01012240   -0.03673330   -0.01029381
     atom    2 type  2   force =     0.00167742    0.00794531   -0.01161895
     atom    3 type  2   force =    -0.00047919    0.00263104    0.02629203
     atom    4 type  2   force =     0.01212711   -0.00000582   -0.00046585
     atom    5 type  2   force =    -0.00320294    0.02616277   -0.00391343

     Total force =     0.057571     Total SCF correction =     0.000125

     Entering Dynamics:    iteration =    87
                           time      =   0.0126 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462817560        9.4515563961        9.5063521586
H            11.4230343767       11.2148679529       10.4418252019
H             9.3719315890        9.5202172794        6.7568615908
H             6.9922965880       10.0912946513       10.6658826615
H            10.0745451027        6.8872844488       10.4527238187


     kinetic energy (Ekin) =           0.01338990 Ry
     temperature           =         352.34977795 K 
     Ekin + Etot (const)   =         -12.17895687 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19241733 Ry
     estimated scf accuracy    <       0.00001356 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19241838 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.2 secs

     total energy              =     -12.19241908 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.72E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1462  -4.0063  -3.6629  -3.3237

     highest occupied level (ev):    -3.3237

!    total energy              =     -12.19241925 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01089648   -0.03537910   -0.01068817
     atom    2 type  2   force =     0.00075716    0.00698268   -0.01156634
     atom    3 type  2   force =    -0.00056526    0.00247621    0.02641947
     atom    4 type  2   force =     0.01400064   -0.00056675   -0.00067701
     atom    5 type  2   force =    -0.00329606    0.02648695   -0.00348796

     Total force =     0.057390     Total SCF correction =     0.000125

     Entering Dynamics:    iteration =    88
                           time      =   0.0128 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463070979        9.4512111912        9.5069987086
H            11.4268946000       11.2209671464       10.4312425744
H             9.3716549375        9.5224993776        6.7573411088
H             6.9867187804       10.0945104712       10.6630135734
H            10.0758275859        6.8853827631       10.4475370145


     kinetic energy (Ekin) =           0.01346145 Ry
     temperature           =         354.23240181 K 
     Ekin + Etot (const)   =         -12.17895780 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.3 secs

     total energy              =     -12.19248252 Ry
     estimated scf accuracy    <       0.00001349 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.69E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.3 secs

     total energy              =     -12.19248360 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.3 secs

     total energy              =     -12.19248430 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1437  -3.9976  -3.6660  -3.3216

     highest occupied level (ev):    -3.3216

!    total energy              =     -12.19248446 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01161835   -0.03392058   -0.01102860
     atom    2 type  2   force =    -0.00017071    0.00600731   -0.01150479
     atom    3 type  2   force =    -0.00065839    0.00232240    0.02642435
     atom    4 type  2   force =     0.01581157   -0.00111427   -0.00085770
     atom    5 type  2   force =    -0.00336412    0.02670513   -0.00303327

     Total force =     0.057144     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    89
                           time      =   0.0129 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463283551        9.4508540605        9.5076413811
H            11.4307531375       11.2271256588       10.4205463437
H             9.3713717847        9.5248044082        6.7580815524
H             6.9812971033       10.0977152884       10.6601360161
H            10.0770768502        6.8837447756       10.4423202584


     kinetic energy (Ekin) =           0.01352572 Ry
     temperature           =         355.92362689 K 
     Ekin + Etot (const)   =         -12.17895874 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.3 secs

     total energy              =     -12.19254129 Ry
     estimated scf accuracy    <       0.00001340 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.3 secs

     total energy              =     -12.19254240 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.3 secs

     total energy              =     -12.19254309 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.75E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1414  -3.9893  -3.6695  -3.3194

     highest occupied level (ev):    -3.3194

!    total energy              =     -12.19254325 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01228532   -0.03236198   -0.01131454
     atom    2 type  2   force =    -0.00110289    0.00502362   -0.01143243
     atom    3 type  2   force =    -0.00075775    0.00216775    0.02630113
     atom    4 type  2   force =     0.01755308   -0.00164608   -0.00100567
     atom    5 type  2   force =    -0.00340711    0.02681669   -0.00254848

     Total force =     0.056829     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    90
                           time      =   0.0131 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463452930        9.4504855520        9.5082800757
H            11.4346007846       11.2333337765       10.4097372241
H             9.3710811496        9.5271308442        6.7590817048
H             6.9760487529       10.1009038514       10.6572485283
H            10.0782924713        6.8823715879       10.4370783376


     kinetic energy (Ekin) =           0.01358355 Ry
     temperature           =         357.44560512 K 
     Ekin + Etot (const)   =         -12.17895970 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.4 secs

     total energy              =     -12.19259439 Ry
     estimated scf accuracy    <       0.00001329 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.66E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.4 secs

     total energy              =     -12.19259553 Ry
     estimated scf accuracy    <       0.00000369 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.4 secs

     total energy              =     -12.19259621 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.76E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1394  -3.9813  -3.6735  -3.3171

     highest occupied level (ev):    -3.3171

!    total energy              =     -12.19259637 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01289549   -0.03070727   -0.01154868
     atom    2 type  2   force =    -0.00203607    0.00403448   -0.01134765
     atom    3 type  2   force =    -0.00086334    0.00201233    0.02605035
     atom    4 type  2   force =     0.01921962   -0.00216072   -0.00111970
     atom    5 type  2   force =    -0.00342473    0.02682117   -0.00203432

     Total force =     0.056443     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =    91
                           time      =   0.0132 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463576971        9.4501062475        9.5089147100
H            11.4384283266       11.2395817325       10.3988160528
H             9.3707819895        9.5294771507        6.7603390899
H             6.9709901855       10.1040710786       10.6543499840
H            10.0794742750        6.8812632442       10.4318163289


     kinetic energy (Ekin) =           0.01363571 Ry
     temperature           =         358.81808735 K 
     Ekin + Etot (const)   =         -12.17896066 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.4 secs

     total energy              =     -12.19264247 Ry
     estimated scf accuracy    <       0.00001317 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.4 secs

     total energy              =     -12.19264363 Ry
     estimated scf accuracy    <       0.00000368 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.4 secs

     total energy              =     -12.19264431 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.75E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1376  -3.9736  -3.6781  -3.3149

     highest occupied level (ev):    -3.3149

!    total energy              =     -12.19264447 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01344728   -0.02896058   -0.01173376
     atom    2 type  2   force =    -0.00296699    0.00304276   -0.01124892
     atom    3 type  2   force =    -0.00097514    0.00185619    0.02567304
     atom    4 type  2   force =     0.02080612   -0.00265682   -0.00119879
     atom    5 type  2   force =    -0.00341670    0.02671844   -0.00149156

     Total force =     0.055987     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =    92
                           time      =   0.0134 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463653734        9.4497167611        9.5095452189
H            11.4422265713       11.2458597341       10.3877838047
H             9.3704732004        9.5318417861        6.7618499818
H             6.9661370669       10.1072120712       10.6514396024
H            10.0806223408        6.8804187301       10.4265395919


     kinetic energy (Ekin) =           0.01368283 Ry
     temperature           =         360.05797924 K 
     Ekin + Etot (const)   =         -12.17896164 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19268603 Ry
     estimated scf accuracy    <       0.00001305 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19268722 Ry
     estimated scf accuracy    <       0.00000367 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19268789 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1360  -3.9663  -3.6831  -3.3127

     highest occupied level (ev):    -3.3127

!    total energy              =     -12.19268805 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01393945   -0.02712620   -0.01187257
     atom    2 type  2   force =    -0.00389247    0.00205123   -0.01113483
     atom    3 type  2   force =    -0.00109314    0.00169937    0.02517063
     atom    4 type  2   force =     0.02230793   -0.00313311   -0.00124215
     atom    5 type  2   force =    -0.00338286    0.02650872   -0.00092109

     Total force =     0.055463     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =    93
                           time      =   0.0135 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463681489        9.4493177377        9.5101715538
H            11.4459863800       11.2521579904       10.3766416064
H             9.3701536171        9.5342232018        6.7636094196
H             6.9615042264       10.1103221261       10.6485169554
H            10.0817370027        6.8798359748       10.4212537597


     kinetic energy (Ekin) =           0.01372543 Ry
     temperature           =         361.17898514 K 
     Ekin + Etot (const)   =         -12.17896262 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19272547 Ry
     estimated scf accuracy    <       0.00001291 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19272669 Ry
     estimated scf accuracy    <       0.00000365 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19272735 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.72E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1348  -3.9593  -3.6887  -3.3106

     highest occupied level (ev):    -3.3106

!    total energy              =     -12.19272751 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01437105   -0.02520862   -0.01196794
     atom    2 type  2   force =    -0.00480942    0.00106263   -0.01100407
     atom    3 type  2   force =    -0.00121730    0.00154185    0.02454503
     atom    4 type  2   force =     0.02372086   -0.00358842   -0.00124918
     atom    5 type  2   force =    -0.00332310    0.02619257   -0.00032384

     Total force =     0.054875     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =    94
                           time      =   0.0136 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463658719        9.4489098515        9.5107936809
H            11.4496986984       11.2584667395       10.3653907491
H             9.3698220137        9.5366198424        6.7656112257
H             6.9571056162       10.1133967473       10.6455819733
H            10.0828188508        6.8795118563       10.4159647298


     kinetic energy (Ekin) =           0.01376390 Ry
     temperature           =         362.19133377 K 
     Ekin + Etot (const)   =         -12.17896361 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19276103 Ry
     estimated scf accuracy    <       0.00001277 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19276228 Ry
     estimated scf accuracy    <       0.00000363 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.54E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.5 secs

     total energy              =     -12.19276293 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.69E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1338  -3.9526  -3.6947  -3.3085

     highest occupied level (ev):    -3.3085

!    total energy              =     -12.19276309 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01474135   -0.02321249   -0.01202277
     atom    2 type  2   force =    -0.00571483    0.00007960   -0.01085545
     atom    3 type  2   force =    -0.00134761    0.00138363    0.02379854
     atom    4 type  2   force =     0.02504117   -0.00402165   -0.00121947
     atom    5 type  2   force =    -0.00323738    0.02577091    0.00029915

     Total force =     0.054228     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    95
                           time      =   0.0138 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463584121        9.4484938042        9.5114115811
H            11.4533545862       11.2647762747       10.3540327004
H             9.3694771034        9.5390301456        6.7678480291
H             6.9529542734       10.1164316569       10.6426349497
H            10.0838687317        6.8794422110       10.4106786539


     kinetic energy (Ekin) =           0.01379849 Ry
     temperature           =         363.10159443 K 
     Ekin + Etot (const)   =         -12.17896460 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.6 secs

     total energy              =     -12.19279282 Ry
     estimated scf accuracy    <       0.00001263 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.58E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.6 secs

     total energy              =     -12.19279410 Ry
     estimated scf accuracy    <       0.00000361 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.6 secs

     total energy              =     -12.19279474 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1331  -3.9463  -3.7013  -3.3065

     highest occupied level (ev):    -3.3065

!    total energy              =     -12.19279489 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01505087   -0.02114287   -0.01204294
     atom    2 type  2   force =    -0.00660495   -0.00089611   -0.01068701
     atom    3 type  2   force =    -0.00148586    0.00122531    0.02293844
     atom    4 type  2   force =     0.02626642   -0.00443156   -0.00115392
     atom    5 type  2   force =    -0.00312473    0.02524523    0.00094543

     Total force =     0.053535     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =    96
                           time      =   0.0139 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463456607        9.4480703236        9.5120252473
H            11.4569452537       11.2710769613       10.3425691233
H             9.3691175211        9.5414525481        6.7703113366
H             6.9490622967       10.1194228073       10.6396765317
H            10.0848877575        6.8796218483       10.4054019136


     kinetic energy (Ekin) =           0.01382931 Ry
     temperature           =         363.91268490 K 
     Ekin + Etot (const)   =         -12.17896558 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.6 secs

     total energy              =     -12.19282080 Ry
     estimated scf accuracy    <       0.00001247 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.6 secs

     total energy              =     -12.19282210 Ry
     estimated scf accuracy    <       0.00000358 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.48E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.6 secs

     total energy              =     -12.19282273 Ry
     estimated scf accuracy    <       0.00000037 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1327  -3.9403  -3.7083  -3.3046

     highest occupied level (ev):    -3.3046

!    total energy              =     -12.19282288 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01529756   -0.01900438   -0.01202617
     atom    2 type  2   force =    -0.00747863   -0.00186033   -0.01049933
     atom    3 type  2   force =    -0.00162847    0.00106540    0.02195893
     atom    4 type  2   force =     0.02739192   -0.00481757   -0.00105007
     atom    5 type  2   force =    -0.00298725    0.02461687    0.00161664

     Total force =     0.052797     Total SCF correction =     0.000126

     Entering Dynamics:    iteration =    97
                           time      =   0.0141 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463275311        9.4476401615        9.5126346853
H            11.4604620740       11.2773592782       10.3310018713
H             9.3687418585        9.5438854708        6.7729914762
H             6.9454407998       10.1223663870       10.6367077450
H            10.0858772859        6.8800445634       10.4001411367


     kinetic energy (Ekin) =           0.01385633 Ry
     temperature           =         364.62368648 K 
     Ekin + Etot (const)   =         -12.17896655 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.7 secs

     total energy              =     -12.19284478 Ry
     estimated scf accuracy    <       0.00001232 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.54E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.7 secs

     total energy              =     -12.19284611 Ry
     estimated scf accuracy    <       0.00000355 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.44E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.7 secs

     total energy              =     -12.19284672 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.53E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1325  -3.9346  -3.7157  -3.3029

     highest occupied level (ev):    -3.3029

!    total energy              =     -12.19284688 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01548206   -0.01680236   -0.01197827
     atom    2 type  2   force =    -0.00833247   -0.00281152   -0.01029090
     atom    3 type  2   force =    -0.00177715    0.00090457    0.02086822
     atom    4 type  2   force =     0.02841588   -0.00517867   -0.00090907
     atom    5 type  2   force =    -0.00282420    0.02388797    0.00231002

     Total force =     0.052031     Total SCF correction =     0.000127

     Entering Dynamics:    iteration =    98
                           time      =   0.0142 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4463039583        9.4472040920        9.5132399120
H            11.4638966159       11.2836138330       10.3193330025
H             9.3683486475        9.5463273256        6.7758776777
H             6.9420998937       10.1252588303       10.6337299817
H            10.0868389269        6.8807031588       10.3949031699


     kinetic energy (Ekin) =           0.01387937 Ry
     temperature           =         365.22991784 K 
     Ekin + Etot (const)   =         -12.17896751 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.7 secs

     total energy              =     -12.19286447 Ry
     estimated scf accuracy    <       0.00001216 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.52E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.7 secs

     total energy              =     -12.19286582 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.7 secs

     total energy              =     -12.19286642 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.46E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1327  -3.9292  -3.7236  -3.3014

     highest occupied level (ev):    -3.3014

!    total energy              =     -12.19286657 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01560445   -0.01454217   -0.01190259
     atom    2 type  2   force =    -0.00916396   -0.00374743   -0.01006101
     atom    3 type  2   force =    -0.00193186    0.00074270    0.01967045
     atom    4 type  2   force =     0.02933616   -0.00551411   -0.00073109
     atom    5 type  2   force =    -0.00263590    0.02306101    0.00302424

     Total force =     0.051250     Total SCF correction =     0.000129

     Entering Dynamics:    iteration =    99
                           time      =   0.0144 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462748993        9.4467629097        9.5138409540
H            11.4672406688       11.2898313839       10.3075647868
H             9.3679363605        9.5487765141        6.7789581140
H             6.9390486658       10.1280968248       10.6307449992
H            10.0877745399        6.8815894687       10.3896950658


     kinetic energy (Ekin) =           0.01389812 Ry
     temperature           =         365.72338401 K 
     Ekin + Etot (const)   =         -12.17896845 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.8 secs

     total energy              =     -12.19287944 Ry
     estimated scf accuracy    <       0.00001201 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.8 secs

     total energy              =     -12.19288080 Ry
     estimated scf accuracy    <       0.00000349 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.8 secs

     total energy              =     -12.19288139 Ry
     estimated scf accuracy    <       0.00000035 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1331  -3.9242  -3.7319  -3.3000

     highest occupied level (ev):    -3.3000

!    total energy              =     -12.19288154 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01566489   -0.01222939   -0.01180265
     atom    2 type  2   force =    -0.00997074   -0.00466591   -0.00980908
     atom    3 type  2   force =    -0.00209253    0.00057962    0.01837018
     atom    4 type  2   force =     0.03015093   -0.00582317   -0.00051633
     atom    5 type  2   force =    -0.00242277    0.02213885    0.00375787

     Total force =     0.050470     Total SCF correction =     0.000132

     Entering Dynamics:    iteration =   100
                           time      =   0.0145 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462403329        9.4463174279        9.5144378465
H            11.4704862663       11.2960028617       10.2956997119
H             9.3675034109        9.5512314261        6.7822199454
H             6.9362951614       10.1308773188       10.6277549183
H            10.0886862294        6.8826943873       10.3845240686


     kinetic energy (Ekin) =           0.01391217 Ry
     temperature           =         366.09294221 K 
     Ekin + Etot (const)   =         -12.17896937 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.8 secs

     total energy              =     -12.19288915 Ry
     estimated scf accuracy    <       0.00001186 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.8 secs

     total energy              =     -12.19289052 Ry
     estimated scf accuracy    <       0.00000346 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.8 secs

     total energy              =     -12.19289110 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1339  -3.9195  -3.7405  -3.2988

     highest occupied level (ev):    -3.2988

!    total energy              =     -12.19289125 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01566368   -0.00986982   -0.01168213
     atom    2 type  2   force =    -0.01075058   -0.00556487   -0.00953462
     atom    3 type  2   force =    -0.00225910    0.00041514    0.01697247
     atom    4 type  2   force =     0.03085866   -0.00610521   -0.00026511
     atom    5 type  2   force =    -0.00218530    0.02112476    0.00450940

     Total force =     0.049709     Total SCF correction =     0.000135

     Entering Dynamics:    iteration =   101
                           time      =   0.0147 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462002594        9.4458684761        9.5150306317
H            11.4736257077       11.3021193894       10.2837404881
H             9.3670481540        9.5536904373        6.7856493705
H             6.9338463690       10.1335975274       10.6247622196
H            10.0895763403        6.8840079010       10.3793975991


     kinetic energy (Ekin) =           0.01392098 Ry
     temperature           =         366.32469506 K 
     Ekin + Etot (const)   =         -12.17897027 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19289299 Ry
     estimated scf accuracy    <       0.00001171 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19289437 Ry
     estimated scf accuracy    <       0.00000342 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.28E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19289494 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.22E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1349  -3.9152  -3.7494  -3.2979

     highest occupied level (ev):    -3.2979

!    total energy              =     -12.19289509 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01560116   -0.00746949   -0.01154490
     atom    2 type  2   force =    -0.01150136   -0.00644235   -0.00923733
     atom    3 type  2   force =    -0.00243150    0.00024904    0.01548283
     atom    4 type  2   force =     0.03145812   -0.00635964    0.00002217
     atom    5 type  2   force =    -0.00192410    0.02002243    0.00527722

     Total force =     0.048988     Total SCF correction =     0.000138

     Entering Dynamics:    iteration =   102
                           time      =   0.0148 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4461547009        9.4454168981        9.5156193581
H            11.4766515797       11.3081723026       10.2716900508
H             9.3665688874        9.5561519077        6.7892316799
H             6.9317082078       10.1362549380       10.6217697398
H            10.0904474518        6.8855191250       10.3743232393


     kinetic energy (Ekin) =           0.01392393 Ry
     temperature           =         366.40246438 K 
     Ekin + Etot (const)   =         -12.17897116 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19289027 Ry
     estimated scf accuracy    <       0.00001156 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.45E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19289167 Ry
     estimated scf accuracy    <       0.00000339 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19289223 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.13E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1362  -3.9113  -3.7585  -3.2972

     highest occupied level (ev):    -3.2972

!    total energy              =     -12.19289237 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01547776   -0.00503467   -0.01139498
     atom    2 type  2   force =    -0.01222110   -0.00729645   -0.00891699
     atom    3 type  2   force =    -0.00260962    0.00008108    0.01390729
     atom    4 type  2   force =     0.03194836   -0.00658594    0.00034508
     atom    5 type  2   force =    -0.00163988    0.01883598    0.00605959

     Total force =     0.048327     Total SCF correction =     0.000141

     Entering Dynamics:    iteration =   103
                           time      =   0.0149 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4461037008        9.4449635501        9.5162040781
H            11.4795567751       11.3141531675       10.2595515633
H             9.3660638523        9.5586141786        6.7929513159
H             6.9298855188       10.1388473162       10.6187806675
H            10.0913023704        6.8872163438       10.3693087144


     kinetic energy (Ekin) =           0.01392035 Ry
     temperature           =         366.30833791 K 
     Ekin + Etot (const)   =         -12.17897202 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        3.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19288019 Ry
     estimated scf accuracy    <       0.00001103 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19288169 Ry
     estimated scf accuracy    <       0.00000337 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.9 secs

     total energy              =     -12.19288225 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.31E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        3.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1377  -3.9077  -3.7677  -3.2969

     highest occupied level (ev):    -3.2969

!    total energy              =     -12.19288238 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01529227   -0.00256870   -0.01122574
     atom    2 type  2   force =    -0.01291298   -0.00812754   -0.00857411
     atom    3 type  2   force =    -0.00279472   -0.00008937    0.01224230
     atom    4 type  2   force =     0.03233298   -0.00678669    0.00070312
     atom    5 type  2   force =    -0.00133302    0.01757231    0.00685443

     Total force =     0.047749     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   104
                           time      =   0.0151 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4460473242        9.4445092990        9.5167848515
H            11.4823344622       11.3200537774       10.2473284113
H             9.3655312210        9.5610755671        6.7967918378
H             6.9283820998       10.1413726798       10.6157985381
H            10.0921441262        6.8890870792       10.3643618732


     kinetic energy (Ekin) =           0.01390949 Ry
     temperature           =         366.02245128 K 
     Ekin + Etot (const)   =         -12.17897289 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.0 secs

     total energy              =     -12.19286220 Ry
     estimated scf accuracy    <       0.00001113 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.0 secs

     total energy              =     -12.19286368 Ry
     estimated scf accuracy    <       0.00000339 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.0 secs

     total energy              =     -12.19286424 Ry
     estimated scf accuracy    <       0.00000035 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1395  -3.9048  -3.7769  -3.2967

     highest occupied level (ev):    -3.2967

!    total energy              =     -12.19286438 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01504771   -0.00008577   -0.01106382
     atom    2 type  2   force =    -0.01356460   -0.00892946   -0.00820688
     atom    3 type  2   force =    -0.00298460   -0.00026155    0.01051426
     atom    4 type  2   force =     0.03260260   -0.00695546    0.00109644
     atom    5 type  2   force =    -0.00100569    0.01623224    0.00765999

     Total force =     0.047277     Total SCF correction =     0.000112

     Entering Dynamics:    iteration =   105
                           time      =   0.0152 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4459856572        9.4440550177        9.5173617351
H            11.4849782064       11.3258662139       10.2350242210
H             9.3649691184        9.5635343729        6.8007361821
H             6.9272006132       10.1438293620       10.6128272355
H            10.0929759513        6.8911180989       10.3594906701


     kinetic energy (Ekin) =           0.01389060 Ry
     temperature           =         365.52525839 K 
     Ekin + Etot (const)   =         -12.17897378 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.0 secs

     total energy              =     -12.19283474 Ry
     estimated scf accuracy    <       0.00001180 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.0 secs

     total energy              =     -12.19283698 Ry
     estimated scf accuracy    <       0.00000329 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.0 secs

     total energy              =     -12.19283755 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.50E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1416  -3.9022  -3.7860  -3.2968

     highest occupied level (ev):    -3.2968

!    total energy              =     -12.19283762 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01474558    0.00241128   -0.01092726
     atom    2 type  2   force =    -0.01418173   -0.00970309   -0.00780275
     atom    3 type  2   force =    -0.00317942   -0.00043920    0.00870707
     atom    4 type  2   force =     0.03276924   -0.00709871    0.00153428
     atom    5 type  2   force =    -0.00066250    0.01482972    0.00848866

     Total force =     0.046946     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =   106
                           time      =   0.0154 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4459188059        9.4436015841        9.5179347768
H            11.4874819140       11.3315828379       10.2226429828
H             9.3643756207        9.5659888418        6.8047665039
H             6.9263427044       10.1462159485       10.6098710831
H            10.0938012346        6.8932955536       10.3547032878


     kinetic energy (Ekin) =           0.01386278 Ry
     temperature           =         364.79341709 K 
     Ekin + Etot (const)   =         -12.17897484 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.1 secs

     total energy              =     -12.19279931 Ry
     estimated scf accuracy    <       0.00001136 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.1 secs

     total energy              =     -12.19280073 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.1 secs

     total energy              =     -12.19280131 Ry
     estimated scf accuracy    <       0.00000036 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.46E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1440  -3.9009  -3.7946  -3.2973

     highest occupied level (ev):    -3.2973

!    total energy              =     -12.19280144 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01438072    0.00491472   -0.01074805
     atom    2 type  2   force =    -0.01475698   -0.01044624   -0.00740399
     atom    3 type  2   force =    -0.00338050   -0.00061483    0.00687185
     atom    4 type  2   force =     0.03280973   -0.00720452    0.00198457
     atom    5 type  2   force =    -0.00029153    0.01335088    0.00929563

     Total force =     0.046736     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   107
                           time      =   0.0155 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4458468987        9.4431498785        9.5185040398
H            11.4898399048       11.3371963110       10.2101886344
H             9.3637487425        9.5684372397        6.8088646813
H             6.9258087732       10.1485313944       10.6069345272
H            10.0946236393        6.8956048408       10.3500076946


     kinetic energy (Ekin) =           0.01382554 Ry
     temperature           =         363.81339269 K 
     Ekin + Etot (const)   =         -12.17897590 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.1 secs

     total energy              =     -12.19275303 Ry
     estimated scf accuracy    <       0.00001078 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.1 secs

     total energy              =     -12.19275451 Ry
     estimated scf accuracy    <       0.00000329 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.1 secs

     total energy              =     -12.19275505 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.23E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1465  -3.9004  -3.8027  -3.2980

     highest occupied level (ev):    -3.2980

!    total energy              =     -12.19275518 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01395934    0.00741739   -0.01060436
     atom    2 type  2   force =    -0.01529495   -0.01115810   -0.00696992
     atom    3 type  2   force =    -0.00358603   -0.00079668    0.00497555
     atom    4 type  2   force =     0.03274732   -0.00728401    0.00247769
     atom    5 type  2   force =     0.00009299    0.01182140    0.01012105

     Total force =     0.046705     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   108
                           time      =   0.0157 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4457700837        9.4427007807        9.5190695745
H            11.4920468666       11.3426996043       10.1976654620
H             9.3630864543        9.5708777708        6.8130119895
H             6.9255982035       10.1507749148       10.6040224371
H            10.0954469622        6.8980308577       10.3454120410


     kinetic energy (Ekin) =           0.01377842 Ry
     temperature           =         362.57333547 K 
     Ekin + Etot (const)   =         -12.17897676 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.2 secs

     total energy              =     -12.19269615 Ry
     estimated scf accuracy    <       0.00001066 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.2 secs

     total energy              =     -12.19269764 Ry
     estimated scf accuracy    <       0.00000326 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.2 secs

     total energy              =     -12.19269817 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.17E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1493  -3.9011  -3.8099  -3.2991

     highest occupied level (ev):    -3.2991

!    total energy              =     -12.19269830 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01348005    0.00991161   -0.01047684
     atom    2 type  2   force =    -0.01579234   -0.01183740   -0.00651410
     atom    3 type  2   force =    -0.00379658   -0.00098270    0.00303963
     atom    4 type  2   force =     0.03257513   -0.00733336    0.00300264
     atom    5 type  2   force =     0.00049383    0.01024185    0.01094868

     Total force =     0.046853     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   109
                           time      =   0.0158 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4456885294        9.4422551676        9.5196314258
H            11.4940978878       11.3480860098       10.1850779664
H             9.3623866770        9.5733085983        6.8171893123
H             6.9257092949       10.1529460223       10.6011399963
H            10.0962751614        6.9005580070       10.3409244995


     kinetic energy (Ekin) =           0.01372068 Ry
     temperature           =         361.05412964 K 
     Ekin + Etot (const)   =         -12.17897761 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.2 secs

     total energy              =     -12.19262821 Ry
     estimated scf accuracy    <       0.00001053 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.32E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.2 secs

     total energy              =     -12.19262971 Ry
     estimated scf accuracy    <       0.00000322 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.03E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.2 secs

     total energy              =     -12.19263023 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.12E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1524  -3.9032  -3.8158  -3.3004

     highest occupied level (ev):    -3.3004

!    total energy              =     -12.19263036 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01294345    0.01238925   -0.01037120
     atom    2 type  2   force =    -0.01624812   -0.01248287   -0.00603765
     atom    3 type  2   force =    -0.00401190   -0.00117340    0.00107425
     atom    4 type  2   force =     0.03229395   -0.00735231    0.00355854
     atom    5 type  2   force =     0.00090952    0.00861933    0.01177606

     Total force =     0.047190     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   110
                           time      =   0.0160 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4456024244        9.4418139103        9.5201896308
H            11.4959884679       11.3533491540       10.1724308525
H             9.3616472844        9.5757278392        6.8213772427
H             6.9261392710       10.1550445299       10.5982926942
H            10.0971123416        6.9031702674       10.3365532399


     kinetic energy (Ekin) =           0.01365190 Ry
     temperature           =         359.24417699 K 
     Ekin + Etot (const)   =         -12.17897846 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.3 secs

     total energy              =     -12.19254891 Ry
     estimated scf accuracy    <       0.00001040 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.3 secs

     total energy              =     -12.19255043 Ry
     estimated scf accuracy    <       0.00000318 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.98E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.3 secs

     total energy              =     -12.19255094 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.05E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1556  -3.9070  -3.8204  -3.3020

     highest occupied level (ev):    -3.3020

!    total energy              =     -12.19255107 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01235013    0.01484204   -0.01029315
     atom    2 type  2   force =    -0.01666132   -0.01309344   -0.00554141
     atom    3 type  2   force =    -0.00423185   -0.00136936   -0.00091075
     atom    4 type  2   force =     0.03190491   -0.00734077    0.00414457
     atom    5 type  2   force =     0.00133839    0.00696153    0.01260075

     Total force =     0.047719     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   111
                           time      =   0.0161 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4455119774        9.4413778711        9.5207442169
H            11.4977145269       11.3584830079       10.1597290202
H             9.3608661046        9.5781335583        6.8255561799
H             6.9268842902       10.1570705515       10.5954863173
H            10.0979627377        6.9058512689       10.3323064056


     kinetic energy (Ekin) =           0.01357177 Ry
     temperature           =         357.13552496 K 
     Ekin + Etot (const)   =         -12.17897930 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.3 secs

     total energy              =     -12.19245811 Ry
     estimated scf accuracy    <       0.00001027 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        4.3 secs

     total energy              =     -12.19245964 Ry
     estimated scf accuracy    <       0.00000314 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.3 secs

     total energy              =     -12.19246015 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.98E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1590  -3.9125  -3.8234  -3.3039

     highest occupied level (ev):    -3.3039

!    total energy              =     -12.19246027 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01170073    0.01726152   -0.01024857
     atom    2 type  2   force =    -0.01703107   -0.01366812   -0.00502634
     atom    3 type  2   force =    -0.00445623   -0.00157121   -0.00290516
     atom    4 type  2   force =     0.03140940   -0.00729870    0.00475983
     atom    5 type  2   force =     0.00177864    0.00527651    0.01342024

     Total force =     0.048440     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   112
                           time      =   0.0163 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4454174167        9.4409479007        9.5212951999
H            11.4992724136       11.3634818968       10.1469775557
H             9.3600409221        9.5805237627        6.8297064303
H             6.9279394595       10.1590245026       10.5927269411
H            10.0988306969        6.9085843730       10.3281920887


     kinetic energy (Ekin) =           0.01348014 Ry
     temperature           =         354.72427766 K 
     Ekin + Etot (const)   =         -12.17898013 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.4 secs

     total energy              =     -12.19235583 Ry
     estimated scf accuracy    <       0.00001012 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.4 secs

     total energy              =     -12.19235746 Ry
     estimated scf accuracy    <       0.00000310 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.4 secs

     total energy              =     -12.19235788 Ry
     estimated scf accuracy    <       0.00000026 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.27E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1626  -3.9196  -3.8251  -3.3061

     highest occupied level (ev):    -3.3061

!    total energy              =     -12.19235800 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01099868    0.01963609   -0.01024020
     atom    2 type  2   force =    -0.01735451   -0.01420206   -0.00450176
     atom    3 type  2   force =    -0.00468520   -0.00178045   -0.00489064
     atom    4 type  2   force =     0.03080957   -0.00722589    0.00540218
     atom    5 type  2   force =     0.00222882    0.00357231    0.01423042

     Total force =     0.049340     Total SCF correction =     0.000128

     Entering Dynamics:    iteration =   113
                           time      =   0.0164 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4453189890        9.4405248339        9.5218425826
H            11.5006589342       11.3683405483       10.1341816388
H             9.3591694759        9.5828963861        6.8338083885
H             6.9292988561       10.1609071020       10.5900209084
H            10.0997206643        6.9113527517       10.3242182892


     kinetic energy (Ekin) =           0.01337712 Ry
     temperature           =         352.01329491 K 
     Ekin + Etot (const)   =         -12.17898088 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.4 secs

     total energy              =     -12.19224163 Ry
     estimated scf accuracy    <       0.00001067 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.4 secs

     total energy              =     -12.19224391 Ry
     estimated scf accuracy    <       0.00000293 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.4 secs

     total energy              =     -12.19224439 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1662  -3.9278  -3.8254  -3.3085

     highest occupied level (ev):    -3.3085

!    total energy              =     -12.19224445 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01024130    0.02196808   -0.01030507
     atom    2 type  2   force =    -0.01763330   -0.01470488   -0.00393766
     atom    3 type  2   force =    -0.00491598   -0.00199954   -0.00689079
     atom    4 type  2   force =     0.03010628   -0.00712648    0.00608440
     atom    5 type  2   force =     0.00268430    0.00186283    0.01504911

     Total force =     0.050432     Total SCF correction =     0.000112

     Entering Dynamics:    iteration =   114
                           time      =   0.0165 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4452169608        9.4401094907        9.5223863423
H            11.5018713360       11.3730539974       10.1213468396
H             9.3582494870        9.5852492652        6.8378423039
H             6.9309555354       10.1627193314       10.5873749557
H            10.1006371378        6.9141395248       10.3203930912


     kinetic energy (Ekin) =           0.01326271 Ry
     temperature           =         349.00279668 K 
     Ekin + Etot (const)   =         -12.17898174 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.5 secs

     total energy              =     -12.19211789 Ry
     estimated scf accuracy    <       0.00001021 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.5 secs

     total energy              =     -12.19211950 Ry
     estimated scf accuracy    <       0.00000311 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.5 secs

     total energy              =     -12.19211993 Ry
     estimated scf accuracy    <       0.00000027 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.33E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1702  -3.9373  -3.8251  -3.3112

     highest occupied level (ev):    -3.3112

!    total energy              =     -12.19212005 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00942561    0.02423044   -0.01037178
     atom    2 type  2   force =    -0.01787108   -0.01516493   -0.00338743
     atom    3 type  2   force =    -0.00515443   -0.00221966   -0.00883059
     atom    4 type  2   force =     0.02930278   -0.00698983    0.00676988
     atom    5 type  2   force =     0.00314835    0.00014397    0.01581991

     Total force =     0.051647     Total SCF correction =     0.000129

     Entering Dynamics:    iteration =   115
                           time      =   0.0167 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4451116187        9.4397026663        9.5229264555
H            11.5029072708       11.3776177013       10.1084785916
H             9.3572786011        9.5875802264        6.8417890223
H             6.9329015631       10.1644625401       10.5847958519
H            10.1015846994        6.9169277196       10.3167241060


     kinetic energy (Ekin) =           0.01313744 Ry
     temperature           =         345.70626909 K 
     Ekin + Etot (const)   =         -12.17898261 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.5 secs

     total energy              =     -12.19198319 Ry
     estimated scf accuracy    <       0.00000951 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.19E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.5 secs

     total energy              =     -12.19198488 Ry
     estimated scf accuracy    <       0.00000294 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.67E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.5 secs

     total energy              =     -12.19198527 Ry
     estimated scf accuracy    <       0.00000024 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.06E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1742  -3.9473  -3.8239  -3.3141

     highest occupied level (ev):    -3.3141

!    total energy              =     -12.19198538 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00855966    0.02642871   -0.01052127
     atom    2 type  2   force =    -0.01806107   -0.01558818   -0.00280897
     atom    3 type  2   force =    -0.00539432   -0.00245177   -0.01075464
     atom    4 type  2   force =     0.02840122   -0.00682691    0.00749247
     atom    5 type  2   force =     0.00361382   -0.00156185    0.01659240

     Total force =     0.053014     Total SCF correction =     0.000121

     Entering Dynamics:    iteration =   116
                           time      =   0.0168 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4450032672        9.4393051338        9.5234628696
H            11.5037648627       11.3820274807       10.0955826065
H             9.3562544493        9.5898869777        6.8456295446
H             6.9351280369       10.1661383370       10.5822907319
H            10.1025679454        6.9197004919       10.3132189614


     kinetic energy (Ekin) =           0.01300209 Ry
     temperature           =         342.14455040 K 
     Ekin + Etot (const)   =         -12.17898329 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.6 secs

     total energy              =     -12.19183904 Ry
     estimated scf accuracy    <       0.00000937 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.6 secs

     total energy              =     -12.19184074 Ry
     estimated scf accuracy    <       0.00000290 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.6 secs

     total energy              =     -12.19184112 Ry
     estimated scf accuracy    <       0.00000024 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1782  -3.9578  -3.8222  -3.3172

     highest occupied level (ev):    -3.3172

!    total energy              =     -12.19184123 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00764186    0.02854945   -0.01073382
     atom    2 type  2   force =    -0.01820507   -0.01597205   -0.00221746
     atom    3 type  2   force =    -0.00563728   -0.00269322   -0.01263319
     atom    4 type  2   force =     0.02740418   -0.00663426    0.00823842
     atom    5 type  2   force =     0.00408002   -0.00324993    0.01734605

     Total force =     0.054495     Total SCF correction =     0.000120

     Entering Dynamics:    iteration =   117
                           time      =   0.0170 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4448922290        9.4389176386        9.5239955099
H            11.5044426898       11.3862795450       10.0826647254
H             9.3551746325        9.5921671351        6.8493453213
H             6.9376251116       10.1677486243       10.5798669618
H            10.1035914795        6.9224411730       10.3098850994


     kinetic energy (Ekin) =           0.01285726 Ry
     temperature           =         338.33340168 K 
     Ekin + Etot (const)   =         -12.17898397 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.6 secs

     total energy              =     -12.19168639 Ry
     estimated scf accuracy    <       0.00000920 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.15E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.6 secs

     total energy              =     -12.19168810 Ry
     estimated scf accuracy    <       0.00000285 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.6 secs

     total energy              =     -12.19168848 Ry
     estimated scf accuracy    <       0.00000024 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.95E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1823  -3.9686  -3.8202  -3.3204

     highest occupied level (ev):    -3.3204

!    total energy              =     -12.19168859 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00667369    0.03058344   -0.01101559
     atom    2 type  2   force =    -0.01830299   -0.01631600   -0.00161467
     atom    3 type  2   force =    -0.00588300   -0.00294468   -0.01445502
     atom    4 type  2   force =     0.02631512   -0.00641247    0.00900694
     atom    5 type  2   force =     0.00454456   -0.00491029    0.01807836

     Total force =     0.056068     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =   118
                           time      =   0.0171 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4447788444        9.4385408959        9.5245242774
H            11.5049397852       11.3903704981       10.0697309002
H             9.3540367245        9.5944182154        6.8529183627
H             6.9403820334       10.1692955920       10.5775321300
H            10.1046598885        6.9251333677       10.3067297509


     kinetic energy (Ekin) =           0.01270393 Ry
     temperature           =         334.29865844 K 
     Ekin + Etot (const)   =         -12.17898466 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.7 secs

     total energy              =     -12.19152642 Ry
     estimated scf accuracy    <       0.00000903 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.13E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.7 secs

     total energy              =     -12.19152814 Ry
     estimated scf accuracy    <       0.00000281 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.51E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.7 secs

     total energy              =     -12.19152851 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.89E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1865  -3.9797  -3.8178  -3.3238

     highest occupied level (ev):    -3.3238

!    total energy              =     -12.19152862 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00565666    0.03252181   -0.01137210
     atom    2 type  2   force =    -0.01835481   -0.01661966   -0.00100207
     atom    3 type  2   force =    -0.00613108   -0.00320686   -0.01620905
     atom    4 type  2   force =     0.02513759   -0.00616212    0.00979662
     atom    5 type  2   force =     0.00500496   -0.00653316    0.01878660

     Total force =     0.057708     Total SCF correction =     0.000116

     Entering Dynamics:    iteration =   119
                           time      =   0.0173 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4446634711        9.4381755871        9.5250490467
H            11.5052556371       11.3942973413       10.0567871802
H             9.3528382754        9.5966376296        6.8563313488
H             6.9433871747       10.1707817123       10.5752940344
H            10.1057777186        6.9277610511       10.3037599096


     kinetic energy (Ekin) =           0.01254327 Ry
     temperature           =         330.07092669 K 
     Ekin + Etot (const)   =         -12.17898535 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.7 secs

     total energy              =     -12.19136045 Ry
     estimated scf accuracy    <       0.00000885 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.11E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.7 secs

     total energy              =     -12.19136217 Ry
     estimated scf accuracy    <       0.00000276 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.45E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.7 secs

     total energy              =     -12.19136254 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.82E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1907  -3.9907  -3.8153  -3.3273

     highest occupied level (ev):    -3.3273

!    total energy              =     -12.19136264 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00459251    0.03435582   -0.01180857
     atom    2 type  2   force =    -0.01836060   -0.01688275   -0.00038115
     atom    3 type  2   force =    -0.00638114   -0.00348044   -0.01788443
     atom    4 type  2   force =     0.02387552   -0.00588388    0.01060601
     atom    5 type  2   force =     0.00545873   -0.00810875    0.01946814

     Total force =     0.059393     Total SCF correction =     0.000114

     Entering Dynamics:    iteration =   120
                           time      =   0.0174 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4445464832        9.4378223572        9.5255696644
H            11.5053901884       11.3980574768       10.0438396965
H             9.3515768162        9.5988226765        6.8595677362
H             6.9466280734       10.1722097326       10.5731606672
H            10.1069494507        6.9303086652       10.3009823052


     kinetic energy (Ekin) =           0.01237660 Ry
     temperature           =         325.68512315 K 
     Ekin + Etot (const)   =         -12.17898604 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.8 secs

     total energy              =     -12.19118994 Ry
     estimated scf accuracy    <       0.00000868 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.8 secs

     total energy              =     -12.19119167 Ry
     estimated scf accuracy    <       0.00000271 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.8 secs

     total energy              =     -12.19119202 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1950  -4.0018  -3.8126  -3.3309

     highest occupied level (ev):    -3.3309

!    total energy              =     -12.19119212 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00348325    0.03607699   -0.01232984
     atom    2 type  2   force =    -0.01832055   -0.01710506    0.00024657
     atom    3 type  2   force =    -0.00663277   -0.00376607   -0.01947064
     atom    4 type  2   force =     0.02253323   -0.00557854    0.01143354
     atom    5 type  2   force =     0.00590334   -0.00962732    0.02012038

     Total force =     0.061100     Total SCF correction =     0.000113

     Entering Dynamics:    iteration =   121
                           time      =   0.0176 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4444282707        9.4374818111        9.5260859472
H            11.5053438346       11.4016487095       10.0308946476
H             9.3502498620        9.6009705355        6.8626118619
H             6.9500914751       10.1735826680       10.5711401998
H            10.1081794750        6.9327612149       10.2984033782


     kinetic energy (Ekin) =           0.01220540 Ry
     temperature           =         321.17995001 K 
     Ekin + Etot (const)   =         -12.17898672 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.8 secs

     total energy              =     -12.19101649 Ry
     estimated scf accuracy    <       0.00000850 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.06E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.8 secs

     total energy              =     -12.19101821 Ry
     estimated scf accuracy    <       0.00000266 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.33E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.8 secs

     total energy              =     -12.19101856 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.1992  -4.0127  -3.8099  -3.3344

     highest occupied level (ev):    -3.3344

!    total energy              =     -12.19101866 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00233121    0.03767713   -0.01294030
     atom    2 type  2   force =    -0.01823494   -0.01728643    0.00087957
     atom    3 type  2   force =    -0.00688553   -0.00406437   -0.02095760
     atom    4 type  2   force =     0.02111542   -0.00524701    0.01227752
     atom    5 type  2   force =     0.00633626   -0.01107931    0.02074081

     Total force =     0.062809     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   122
                           time      =   0.0177 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4443092385        9.4371545115        9.5265976804
H            11.5051174209       11.4050692484       10.0179582839
H             9.3488549172        9.6030782612        6.8654490431
H             6.9537633798       10.1749037921       10.5692409659
H            10.1094720662        6.9351043626       10.2960292551


     kinetic energy (Ekin) =           0.01203125 Ry
     temperature           =         316.59726642 K 
     Ekin + Etot (const)   =         -12.17898741 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.9 secs

     total energy              =     -12.19084177 Ry
     estimated scf accuracy    <       0.00000832 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.9 secs

     total energy              =     -12.19084349 Ry
     estimated scf accuracy    <       0.00000262 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.27E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.9 secs

     total energy              =     -12.19084383 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.56E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2034  -4.0235  -3.8072  -3.3380

     highest occupied level (ev):    -3.3380

!    total energy              =     -12.19084392 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00113903    0.03914844   -0.01364377
     atom    2 type  2   force =    -0.01810414   -0.01742679    0.00151629
     atom    3 type  2   force =    -0.00713897   -0.00437590   -0.02233572
     atom    4 type  2   force =     0.01962718   -0.00489036    0.01313616
     atom    5 type  2   force =     0.00675496   -0.01245538    0.02132703

     Total force =     0.064499     Total SCF correction =     0.000108

     Entering Dynamics:    iteration =   123
                           time      =   0.0179 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4441898059        9.4368409757        9.5271046168
H            11.5047122390       11.4083177075       10.0050368928
H             9.3473894790        9.6051427773        6.8680656717
H             6.9576290917       10.1761766267       10.5674714442
H            10.1108313589        6.9373245203       10.2938657244


     kinetic energy (Ekin) =           0.01185583 Ry
     temperature           =         311.98137310 K 
     Ekin + Etot (const)   =         -12.17898809 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        4.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        4.9 secs

     total energy              =     -12.19066754 Ry
     estimated scf accuracy    <       0.00000815 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.9 secs

     total energy              =     -12.19066925 Ry
     estimated scf accuracy    <       0.00000257 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.22E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.9 secs

     total energy              =     -12.19066958 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        4.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2075  -4.0341  -3.8044  -3.3415

     highest occupied level (ev):    -3.3415

!    total energy              =     -12.19066967 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00009027    0.04048360   -0.01444347
     atom    2 type  2   force =    -0.01792859   -0.01752614    0.00215523
     atom    3 type  2   force =    -0.00739264   -0.00470119   -0.02359606
     atom    4 type  2   force =     0.01807400   -0.00450977    0.01400754
     atom    5 type  2   force =     0.00715696   -0.01374650    0.02187676

     Total force =     0.066154     Total SCF correction =     0.000106

     Entering Dynamics:    iteration =   124
                           time      =   0.0180 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4440704050        9.4365416730        9.5276064751
H            11.5041300224       11.4113931058        9.9921367832
H             9.3458510426        9.6071608717        6.8704493024
H             6.9616732743       10.1774049298       10.5658402391
H            10.1122613226        6.9394089391       10.2919182145


     kinetic energy (Ekin) =           0.01168091 Ry
     temperature           =         307.37822934 K 
     Ekin + Etot (const)   =         -12.17898876 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.97E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.0 secs

     total energy              =     -12.19049578 Ry
     estimated scf accuracy    <       0.00000926 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.16E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.0 secs

     total energy              =     -12.19049724 Ry
     estimated scf accuracy    <       0.00000236 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.0 secs

     total energy              =     -12.19049761 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.90E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2117  -4.0444  -3.8019  -3.3451

     highest occupied level (ev):    -3.3451

!    total energy              =     -12.19049766 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00135303    0.04167866   -0.01534836
     atom    2 type  2   force =    -0.01771544   -0.01758555    0.00278129
     atom    3 type  2   force =    -0.00764902   -0.00503846   -0.02470773
     atom    4 type  2   force =     0.01647078   -0.00410764    0.01488902
     atom    5 type  2   force =     0.00754065   -0.01494702    0.02238578

     Total force =     0.067757     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =   125
                           time      =   0.0181 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4439514798        9.4362570237        9.5281029373
H            11.5033728757       11.4142948568        9.9792641374
H             9.3442370765        9.6091292142        6.8725889583
H             6.9658800966       10.1785926722       10.5643560547
H            10.1137657459        6.9413457645       10.2901917515


     kinetic energy (Ekin) =           0.01150838 Ry
     temperature           =         302.83815018 K 
     Ekin + Etot (const)   =         -12.17898929 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.0 secs

     total energy              =     -12.19032786 Ry
     estimated scf accuracy    <       0.00000880 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.0 secs

     total energy              =     -12.19032930 Ry
     estimated scf accuracy    <       0.00000229 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.0 secs

     total energy              =     -12.19032964 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2156  -4.0544  -3.7992  -3.3483

     highest occupied level (ev):    -3.3483

!    total energy              =     -12.19032969 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00264604    0.04272154   -0.01634711
     atom    2 type  2   force =    -0.01745253   -0.01760309    0.00341984
     atom    3 type  2   force =    -0.00790205   -0.00539219   -0.02570944
     atom    4 type  2   force =     0.01480627   -0.00368310    0.01577987
     atom    5 type  2   force =     0.00790227   -0.01604316    0.02285684

     Total force =     0.069297     Total SCF correction =     0.000119

     Entering Dynamics:    iteration =   126
                           time      =   0.0183 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4438334849        9.4359873943        9.5285936522
H            11.5024433951       11.4170227871        9.9664252606
H             9.3425450820        9.6110443118        6.8744747478
H             6.9702331225       10.1797440462       10.5630276876
H            10.1153481998        6.9431241727       10.2886909871


     kinetic energy (Ekin) =           0.01134002 Ry
     temperature           =         298.40782812 K 
     Ekin + Etot (const)   =         -12.17898967 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.29E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.1 secs

     total energy              =     -12.19016570 Ry
     estimated scf accuracy    <       0.00000864 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.1 secs

     total energy              =     -12.19016711 Ry
     estimated scf accuracy    <       0.00000227 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.84E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.1 secs

     total energy              =     -12.19016744 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2194  -4.0641  -3.7966  -3.3514

     highest occupied level (ev):    -3.3514

!    total energy              =     -12.19016749 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00396467    0.04361028   -0.01744732
     atom    2 type  2   force =    -0.01714659   -0.01758007    0.00405670
     atom    3 type  2   force =    -0.00815384   -0.00576097   -0.02657156
     atom    4 type  2   force =     0.01309566   -0.00323920    0.01667687
     atom    5 type  2   force =     0.00824009   -0.01703003    0.02328531

     Total force =     0.070763     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =   127
                           time      =   0.0184 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4437168839        9.4357330974        9.5290782330
H            11.5013446016       11.4195771242        9.9536264414
H             9.3407725729        9.6129025230        6.8760981581
H             6.9747154607       10.1808634349       10.5618639953
H            10.1170120199        6.9447344188       10.2874201520


     kinetic energy (Ekin) =           0.01117743 Ry
     temperature           =         294.12951609 K 
     Ekin + Etot (const)   =         -12.17899005 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.1 secs

     total energy              =     -12.19001099 Ry
     estimated scf accuracy    <       0.00000848 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.06E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.1 secs

     total energy              =     -12.19001237 Ry
     estimated scf accuracy    <       0.00000225 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.1 secs

     total energy              =     -12.19001269 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.69E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2231  -4.0734  -3.7942  -3.3543

     highest occupied level (ev):    -3.3543

!    total energy              =     -12.19001274 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00530417    0.04433979   -0.01864893
     atom    2 type  2   force =    -0.01679850   -0.01751659    0.00468981
     atom    3 type  2   force =    -0.00840395   -0.00614481   -0.02728825
     atom    4 type  2   force =     0.01134615   -0.00277754    0.01757758
     atom    5 type  2   force =     0.00855213   -0.01790085    0.02366979

     Total force =     0.072147     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   128
                           time      =   0.0186 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4436021477        9.4354943894        9.5295562573
H            11.5000799323       11.4219584947        9.9408739314
H             9.3389170795        9.6147000577        6.8774521123
H             6.9793098357       10.1819553969       10.5608738718
H            10.1187602875        6.9461679041       10.2863830428


     kinetic energy (Ekin) =           0.01102230 Ry
     temperature           =         290.04731132 K 
     Ekin + Etot (const)   =         -12.17899043 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.98E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.2 secs

     total energy              =     -12.18986533 Ry
     estimated scf accuracy    <       0.00000835 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.2 secs

     total energy              =     -12.18986668 Ry
     estimated scf accuracy    <       0.00000223 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.2 secs

     total energy              =     -12.18986699 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2267  -4.0823  -3.7918  -3.3568

     highest occupied level (ev):    -3.3568

!    total energy              =     -12.18986703 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00665933    0.04490629   -0.01995106
     atom    2 type  2   force =    -0.01640914   -0.01741301    0.00531769
     atom    3 type  2   force =    -0.00865191   -0.00654377   -0.02785485
     atom    4 type  2   force =     0.00956527   -0.00230005    0.01847938
     atom    5 type  2   force =     0.00883645   -0.01864947    0.02400884

     Total force =     0.073443     Total SCF correction =     0.000106

     Entering Dynamics:    iteration =   129
                           time      =   0.0187 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4434897529        9.4352714695        9.5300272671
H            11.4986532320       11.4241679216        9.9281739306
H             9.3369761534        9.6164329764        6.8785310154
H             6.9839986624       10.1830246471       10.5600662218
H            10.1205958101        6.9474172364       10.2855830074


     kinetic energy (Ekin) =           0.01087621 Ry
     temperature           =         286.20300522 K 
     Ekin + Etot (const)   =         -12.17899082 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.85E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.2 secs

     total energy              =     -12.18973019 Ry
     estimated scf accuracy    <       0.00000835 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.2 secs

     total energy              =     -12.18973150 Ry
     estimated scf accuracy    <       0.00000221 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.2 secs

     total energy              =     -12.18973180 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2300  -4.0907  -3.7897  -3.3591

     highest occupied level (ev):    -3.3591

!    total energy              =     -12.18973183 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00802437    0.04530720   -0.02134901
     atom    2 type  2   force =    -0.01598287   -0.01726956    0.00593259
     atom    3 type  2   force =    -0.00889714   -0.00695684   -0.02826222
     atom    4 type  2   force =     0.00776419   -0.00180797    0.01937814
     atom    5 type  2   force =     0.00909145   -0.01927283    0.02430050

     Total force =     0.074644     Total SCF correction =     0.000122

     Entering Dynamics:    iteration =   130
                           time      =   0.0189 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4433801792        9.4350644787        9.5304907711
H            11.4970687098       11.4262068213        9.9155325108
H             9.3349473731        9.6180972002        6.8793308451
H             6.9887641560       10.1840760447       10.5594499200
H            10.1225211057        6.9484762603       10.2850229258


     kinetic energy (Ekin) =           0.01074069 Ry
     temperature           =         282.63670936 K 
     Ekin + Etot (const)   =         -12.17899115 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.3 secs

     total energy              =     -12.18960688 Ry
     estimated scf accuracy    <       0.00000818 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.3 secs

     total energy              =     -12.18960816 Ry
     estimated scf accuracy    <       0.00000219 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.74E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.3 secs

     total energy              =     -12.18960845 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2332  -4.0987  -3.7877  -3.3611

     highest occupied level (ev):    -3.3611

!    total energy              =     -12.18960848 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00939319    0.04554082   -0.02284502
     atom    2 type  2   force =    -0.01551313   -0.01708762    0.00654478
     atom    3 type  2   force =    -0.00913963   -0.00738508   -0.02851904
     atom    4 type  2   force =     0.00594384   -0.00130546    0.02027452
     atom    5 type  2   force =     0.00931573   -0.01976265    0.02454476

     Total force =     0.075755     Total SCF correction =     0.000119

     Entering Dynamics:    iteration =   131
                           time      =   0.0190 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4432739079        9.4348734990        9.5309462433
H            11.4953310042       11.4280769903        9.9029557169
H             9.3328283440        9.6196885004        6.8798490652
H             6.9935883418       10.1851145516       10.5590338177
H            10.1245383888        6.9493401392       10.2847052099


     kinetic energy (Ekin) =           0.01061706 Ry
     temperature           =         279.38343358 K 
     Ekin + Etot (const)   =         -12.17899143 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.3 secs

     total energy              =     -12.18949659 Ry
     estimated scf accuracy    <       0.00000811 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.3 secs

     total energy              =     -12.18949784 Ry
     estimated scf accuracy    <       0.00000220 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.74E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.3 secs

     total energy              =     -12.18949811 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2362  -4.1063  -3.7859  -3.3627

     highest occupied level (ev):    -3.3627

!    total energy              =     -12.18949815 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01075912    0.04560461   -0.02443394
     atom    2 type  2   force =    -0.01500689   -0.01686685    0.00714787
     atom    3 type  2   force =    -0.00937816   -0.00782795   -0.02861767
     atom    4 type  2   force =     0.00411847   -0.00079338    0.02116207
     atom    5 type  2   force =     0.00950745   -0.02011643    0.02474167

     Total force =     0.076774     Total SCF correction =     0.000117

     Entering Dynamics:    iteration =   132
                           time      =   0.0192 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4431714193        9.4346985529        9.5313931251
H            11.4934451140       11.4297806086        9.8904495042
H             9.3306167109        9.6212025041        6.8800847020
H             6.9984531951       10.1861452243       10.5588266791
H            10.1266495528        6.9500053797       10.2846318041


     kinetic energy (Ekin) =           0.01050644 Ry
     temperature           =         276.47266863 K 
     Ekin + Etot (const)   =         -12.17899171 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.4 secs

     total energy              =     -12.18940031 Ry
     estimated scf accuracy    <       0.00000806 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.4 secs

     total energy              =     -12.18940153 Ry
     estimated scf accuracy    <       0.00000220 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.75E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.4 secs

     total energy              =     -12.18940179 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2389  -4.1133  -3.7842  -3.3639

     highest occupied level (ev):    -3.3639

!    total energy              =     -12.18940183 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01211510    0.04549968   -0.02611031
     atom    2 type  2   force =    -0.01446372   -0.01660808    0.00774016
     atom    3 type  2   force =    -0.00961266   -0.00828496   -0.02855870
     atom    4 type  2   force =     0.00229555   -0.00027457    0.02203884
     atom    5 type  2   force =     0.00966573   -0.02033206    0.02489000

     Total force =     0.077703     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =   133
                           time      =   0.0193 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4430731902        9.4345396036        9.5318308270
H            11.4914164027       11.4313202314        9.8780197213
H             9.3283101581        9.6226346984        6.8800383376
H             7.0033407157       10.1871731858       10.5588371616
H            10.1288561604        6.9504698525       10.2848041730


     kinetic energy (Ekin) =           0.01040984 Ry
     temperature           =         273.93070460 K 
     Ekin + Etot (const)   =         -12.17899198 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.45E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.4 secs

     total energy              =     -12.18931886 Ry
     estimated scf accuracy    <       0.00000803 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.4 secs

     total energy              =     -12.18932004 Ry
     estimated scf accuracy    <       0.00000222 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.4 secs

     total energy              =     -12.18932030 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2415  -4.1200  -3.7827  -3.3647

     highest occupied level (ev):    -3.3647

!    total energy              =     -12.18932034 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01345657    0.04522130   -0.02786464
     atom    2 type  2   force =    -0.01388794   -0.01631061    0.00831752
     atom    3 type  2   force =    -0.00984461   -0.00875602   -0.02834363
     atom    4 type  2   force =     0.00048642    0.00025027    0.02290000
     atom    5 type  2   force =     0.00978957   -0.02040495    0.02499075

     Total force =     0.078543     Total SCF correction =     0.000108

     Entering Dynamics:    iteration =   134
                           time      =   0.0194 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4429796921        9.4343965531        9.5322587323
H            11.4892505557       11.4326987962        9.8656720691
H             9.3259063953        9.6239804319        6.8797120958
H             7.0082330393       10.1882036185       10.5590737688
H            10.1311594345        6.9507328378       10.2852233116


     kinetic energy (Ekin) =           0.01032810 Ry
     temperature           =         271.77979079 K 
     Ekin + Etot (const)   =         -12.17899223 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.42E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.5 secs

     total energy              =     -12.18925287 Ry
     estimated scf accuracy    <       0.00000802 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.5 secs

     total energy              =     -12.18925402 Ry
     estimated scf accuracy    <       0.00000224 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.5 secs

     total energy              =     -12.18925428 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2437  -4.1260  -3.7814  -3.3650

     highest occupied level (ev):    -3.3650

!    total energy              =     -12.18925431 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01476985    0.04478334   -0.02969756
     atom    2 type  2   force =    -0.01327436   -0.01597782    0.00888452
     atom    3 type  2   force =    -0.01006964   -0.00923986   -0.02797364
     atom    4 type  2   force =    -0.00130426    0.00077452    0.02374511
     atom    5 type  2   force =     0.00987841   -0.02034019    0.02504157

     Total force =     0.079309     Total SCF correction =     0.000104

     Entering Dynamics:    iteration =   135
                           time      =   0.0196 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4428913867        9.4342692474        9.5326761965
H            11.4869536319       11.4339195889        9.8534121467
H             9.3234032004        9.6252349271        6.8791096300
H             7.0131124841       10.1892416992       10.5595448456
H            10.1335602525        6.9507949752       10.2858897216


     kinetic energy (Ekin) =           0.01026185 Ry
     temperature           =         270.03634518 K 
     Ekin + Etot (const)   =         -12.17899246 Ry

     Linear momentum :    0.0000000000    0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.5 secs

     total energy              =     -12.18920277 Ry
     estimated scf accuracy    <       0.00000806 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.5 secs

     total energy              =     -12.18920390 Ry
     estimated scf accuracy    <       0.00000226 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.5 secs

     total energy              =     -12.18920416 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.25E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2458  -4.1315  -3.7803  -3.3649

     highest occupied level (ev):    -3.3649

!    total energy              =     -12.18920419 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01604970    0.04418361   -0.03159794
     atom    2 type  2   force =    -0.01262773   -0.01560940    0.00943689
     atom    3 type  2   force =    -0.01028927   -0.00973588   -0.02745176
     atom    4 type  2   force =    -0.00306448    0.00129711    0.02456920
     atom    5 type  2   force =     0.00993178   -0.02013544    0.02504361

     Total force =     0.080004     Total SCF correction =     0.000098

     Entering Dynamics:    iteration =   136
                           time      =   0.0197 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4428087241        9.4341574758        9.5330825516
H            11.4845320164       11.4349862476        9.8412454082
H             9.3207984048        9.6263932858        6.8782360935
H             7.0179616689       10.1902925882       10.5602585295
H            10.1360591411        6.9506582865       10.2868034232


     kinetic energy (Ekin) =           0.01021149 Ry
     temperature           =         268.71104913 K 
     Ekin + Etot (const)   =         -12.17899270 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.6 secs

     total energy              =     -12.18916885 Ry
     estimated scf accuracy    <       0.00000811 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.6 secs

     total energy              =     -12.18916996 Ry
     estimated scf accuracy    <       0.00000230 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2471  -4.1370  -3.7786  -3.3636

     highest occupied level (ev):    -3.3636

!    total energy              =     -12.18917022 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01731024    0.04344989   -0.03357622
     atom    2 type  2   force =    -0.01192568   -0.01520566    0.01001803
     atom    3 type  2   force =    -0.01048538   -0.01025705   -0.02680804
     atom    4 type  2   force =    -0.00483849    0.00180323    0.02536014
     atom    5 type  2   force =     0.00993930   -0.01979041    0.02500609

     Total force =     0.080673     Total SCF correction =     0.000228

     Entering Dynamics:    iteration =   137
                           time      =   0.0199 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4427321474        9.4340609803        9.5334771021
H            11.4819926415       11.4359027589        9.8291775922
H             9.3180900719        9.6274503620        6.8770978426
H             7.0227630764       10.1913612831       10.5612226306
H            10.1386561748        6.9503261785       10.2879640459


     kinetic energy (Ekin) =           0.01017680 Ry
     temperature           =         267.79828675 K 
     Ekin + Etot (const)   =         -12.17899342 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.6 secs

     total energy              =     -12.18915120 Ry
     estimated scf accuracy    <       0.00000880 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.6 secs

     total energy              =     -12.18915225 Ry
     estimated scf accuracy    <       0.00000244 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.05E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.6 secs

     total energy              =     -12.18915254 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2490  -4.1410  -3.7786  -3.3634

     highest occupied level (ev):    -3.3634

!    total energy              =     -12.18915257 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01847358    0.04252391   -0.03557146
     atom    2 type  2   force =    -0.01123959   -0.01477123    0.01049581
     atom    3 type  2   force =    -0.01070976   -0.01075961   -0.02596707
     atom    4 type  2   force =    -0.00645622    0.00232384    0.02614005
     atom    5 type  2   force =     0.00993199   -0.01931691    0.02490267

     Total force =     0.081220     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   138
                           time      =   0.0200 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4426620656        9.4339794352        9.5338591463
H            11.4793422819       11.4366734125        9.8172134163
H             9.3152759862        9.6284011930        6.8757031815
H             7.0275007324       10.1924529246       10.5624448500
H            10.1413512813        6.9498033268       10.2893705685


     kinetic energy (Ekin) =           0.01015833 Ry
     temperature           =         267.31233052 K 
     Ekin + Etot (const)   =         -12.17899424 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.7 secs

     total energy              =     -12.18914975 Ry
     estimated scf accuracy    <       0.00000828 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.7 secs

     total energy              =     -12.18915083 Ry
     estimated scf accuracy    <       0.00000239 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.98E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.7 secs

     total energy              =     -12.18915107 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2502  -4.1449  -3.7780  -3.3620

     highest occupied level (ev):    -3.3620

!    total energy              =     -12.18915111 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01960449    0.04146146   -0.03761609
     atom    2 type  2   force =    -0.01050588   -0.01430031    0.01099344
     atom    3 type  2   force =    -0.01091238   -0.01128597   -0.02501941
     atom    4 type  2   force =    -0.00806539    0.00282537    0.02687836
     atom    5 type  2   force =     0.00987916   -0.01870055    0.02476370

     Total force =     0.081747     Total SCF correction =     0.000088

     Entering Dynamics:    iteration =   139
                           time      =   0.0202 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4425988763        9.4339124671        9.5342279656
H            11.4765881827       11.4373028586        9.8053577945
H             9.3123541468        9.6292405814        6.8740614678
H             7.0321587471       10.1935724651       10.5639324780
H            10.1441439390        6.9490958178       10.2910216187


     kinetic energy (Ekin) =           0.01015651 Ry
     temperature           =         267.26443672 K 
     Ekin + Etot (const)   =         -12.17899460 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.71E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.7 secs

     total energy              =     -12.18916430 Ry
     estimated scf accuracy    <       0.00000842 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.05E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.7 secs

     total energy              =     -12.18916536 Ry
     estimated scf accuracy    <       0.00000244 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.05E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.7 secs

     total energy              =     -12.18916561 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2512  -4.1483  -3.7775  -3.3602

     highest occupied level (ev):    -3.3602

!    total energy              =     -12.18916565 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02066625    0.04026733   -0.03969498
     atom    2 type  2   force =    -0.00974408   -0.01379969    0.01147448
     atom    3 type  2   force =    -0.01110748   -0.01181900   -0.02393962
     atom    4 type  2   force =    -0.00960692    0.00331181    0.02758131
     atom    5 type  2   force =     0.00979222   -0.01796046    0.02457881

     Total force =     0.082244     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   140
                           time      =   0.0203 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4425429529        9.4338596561        9.5345828289
H            11.4737378661       11.4377960406        9.7936154767
H             9.3093226273        9.6299632638        6.8721833638
H             7.0367218989       10.1947247079       10.5656924561
H            10.1470332894        6.9482109593       10.2929153708


     kinetic energy (Ekin) =           0.01017069 Ry
     temperature           =         267.63757031 K 
     Ekin + Etot (const)   =         -12.17899496 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.82E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.8 secs

     total energy              =     -12.18919451 Ry
     estimated scf accuracy    <       0.00000855 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.07E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.8 secs

     total energy              =     -12.18919557 Ry
     estimated scf accuracy    <       0.00000249 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.11E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.8 secs

     total energy              =     -12.18919582 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2518  -4.1511  -3.7771  -3.3580

     highest occupied level (ev):    -3.3580

!    total energy              =     -12.18919586 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02165191    0.03894266   -0.04179240
     atom    2 type  2   force =    -0.00895801   -0.01326893    0.01193458
     atom    3 type  2   force =    -0.01129575   -0.01235813   -0.02273760
     atom    4 type  2   force =    -0.01107002    0.00378187    0.02824479
     atom    5 type  2   force =     0.00967187   -0.01709747    0.02435064

     Total force =     0.082713     Total SCF correction =     0.000092

     Entering Dynamics:    iteration =   141
                           time      =   0.0205 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4424946418        9.4338205366        9.5349229989
H            11.4707990943       11.4381581992        9.7819910061
H             9.3061795685        9.6305639166        6.8700807387
H             7.0411757406       10.1959142946       10.5677313355
H            10.1500181441        6.9471572730       10.2950495718


     kinetic energy (Ekin) =           0.01020052 Ry
     temperature           =         268.42241908 K 
     Ekin + Etot (const)   =         -12.17899534 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.94E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.8 secs

     total energy              =     -12.18923996 Ry
     estimated scf accuracy    <       0.00000869 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.09E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.8 secs

     total energy              =     -12.18924102 Ry
     estimated scf accuracy    <       0.00000255 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.18E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.8 secs

     total energy              =     -12.18924127 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2522  -4.1534  -3.7769  -3.3554

     highest occupied level (ev):    -3.3554

!    total energy              =     -12.18924131 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02255312    0.03749626   -0.04389703
     atom    2 type  2   force =    -0.00814971   -0.01270944    0.01237255
     atom    3 type  2   force =    -0.01147708   -0.01290188   -0.02142164
     atom    4 type  2   force =    -0.01244561    0.00423267    0.02886511
     atom    5 type  2   force =     0.00951927   -0.01611762    0.02408101

     Total force =     0.083162     Total SCF correction =     0.000098

     Entering Dynamics:    iteration =   142
                           time      =   0.0206 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4424542599        9.4337945999        9.5352477357
H            11.4677798487       11.4383948593        9.7704887076
H             9.3029231801        9.6310371706        6.8677665871
H             7.0455066888       10.1971456765       10.5700552417
H            10.1530969963        6.9459444342       10.2974215593


     kinetic energy (Ekin) =           0.01024557 Ry
     temperature           =         269.60783013 K 
     Ekin + Etot (const)   =         -12.17899575 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.08E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.9 secs

     total energy              =     -12.18930014 Ry
     estimated scf accuracy    <       0.00000885 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.11E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.9 secs

     total energy              =     -12.18930120 Ry
     estimated scf accuracy    <       0.00000260 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.9 secs

     total energy              =     -12.18930145 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2523  -4.1552  -3.7767  -3.3526

     highest occupied level (ev):    -3.3526

!    total energy              =     -12.18930150 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02336169    0.03593763   -0.04599729
     atom    2 type  2   force =    -0.00732103   -0.01212268    0.01278743
     atom    3 type  2   force =    -0.01165125   -0.01344880   -0.02000065
     atom    4 type  2   force =    -0.01372512    0.00466136    0.02943875
     atom    5 type  2   force =     0.00933571   -0.01502750    0.02377175

     Total force =     0.083598     Total SCF correction =     0.000106

     Entering Dynamics:    iteration =   143
                           time      =   0.0208 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4424220914        9.4337812982        9.5355563008
H            11.4646883120       11.4385118148        9.7591126778
H             9.2995517421        9.6313776252        6.8652549402
H             7.0497021092       10.1984230866       10.5726698390
H            10.1562680333        6.9445832073       10.3000282794


     kinetic energy (Ekin) =           0.01030533 Ry
     temperature           =         271.18055875 K 
     Ekin + Etot (const)   =         -12.17899616 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        5.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        5.9 secs

     total energy              =     -12.18937447 Ry
     estimated scf accuracy    <       0.00000901 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.13E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        5.9 secs

     total energy              =     -12.18937553 Ry
     estimated scf accuracy    <       0.00000266 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.33E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.0 secs

     total energy              =     -12.18937579 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2522  -4.1563  -3.7765  -3.3494

     highest occupied level (ev):    -3.3494

!    total energy              =     -12.18937583 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02406985    0.03427684   -0.04808140
     atom    2 type  2   force =    -0.00647380   -0.01151021    0.01317841
     atom    3 type  2   force =    -0.01181811   -0.01399748   -0.01848403
     atom    4 type  2   force =    -0.01490055    0.00506511    0.02996228
     atom    5 type  2   force =     0.00912261   -0.01383427    0.02342474

     Total force =     0.084025     Total SCF correction =     0.000114

     Entering Dynamics:    iteration =   144
                           time      =   0.0209 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4423983854        9.4337800474        9.5358479615
H            11.4615328502       11.4385151134        9.7478667774
H             9.2960636069        9.6315798626        6.8625607740
H             7.0537503950       10.1997505119       10.5755802971
H            10.1595291509        6.9430853748       10.3028663057


     kinetic energy (Ekin) =           0.01037925 Ry
     temperature           =         273.12573060 K 
     Ekin + Etot (const)   =         -12.17899658 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.0 secs

     total energy              =     -12.18946234 Ry
     estimated scf accuracy    <       0.00000919 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.15E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.0 secs

     total energy              =     -12.18946340 Ry
     estimated scf accuracy    <       0.00000272 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.0 secs

     total energy              =     -12.18946366 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2517  -4.1570  -3.7763  -3.3461

     highest occupied level (ev):    -3.3461

!    total energy              =     -12.18946371 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02467039    0.03252450   -0.05013751
     atom    2 type  2   force =    -0.00560984   -0.01087368    0.01354479
     atom    3 type  2   force =    -0.01197755   -0.01454643   -0.01688153
     atom    4 type  2   force =    -0.01596454    0.00544120    0.03043233
     atom    5 type  2   force =     0.00888154   -0.01254558    0.02304191

     Total force =     0.084447     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =   145
                           time      =   0.0210 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4423833530        9.4337902316        9.5361219949
H            11.4583219945       11.4384110406        9.7367546242
H             9.2924572001        9.6316384621        6.8596999121
H             7.0576410399       10.2011316660       10.5787912573
H            10.1628779688        6.9414636617       10.3059318580


     kinetic energy (Ekin) =           0.01046672 Ry
     temperature           =         275.42732537 K 
     Ekin + Etot (const)   =         -12.17899699 Ry

     Linear momentum :    0.0000000000   -0.0000000000    0.0000000000

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.94E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.1 secs

     total energy              =     -12.18956311 Ry
     estimated scf accuracy    <       0.00000936 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.1 secs

     total energy              =     -12.18956418 Ry
     estimated scf accuracy    <       0.00000278 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.48E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.1 secs

     total energy              =     -12.18956444 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2510  -4.1572  -3.7761  -3.3424

     highest occupied level (ev):    -3.3424

!    total energy              =     -12.18956449 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02515642    0.03069221   -0.05215300
     atom    2 type  2   force =    -0.00472939   -0.01021442    0.01388608
     atom    3 type  2   force =    -0.01212972   -0.01509633   -0.01520231
     atom    4 type  2   force =    -0.01691072    0.00578659    0.03070157
     atom    5 type  2   force =     0.00861341   -0.01116806    0.02262392

     Total force =     0.084813     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =   146
                           time      =   0.0212 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4423771651        9.4338112065        9.5363776924
H            11.4550644386       11.4382061061        9.7257795882
H             9.2887310192        9.6315479939        6.8566889360
H             7.0613647010       10.2025699593       10.5823053782
H            10.1663118392        6.9397316702       10.3092208087


     kinetic energy (Ekin) =           0.01056684 Ry
     temperature           =         278.06202613 K 
     Ekin + Etot (const)   =         -12.17899765 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0000269506

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.1 secs

     total energy              =     -12.18967592 Ry
     estimated scf accuracy    <       0.00000815 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.1 secs

     total energy              =     -12.18967722 Ry
     estimated scf accuracy    <       0.00000285 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.1 secs

     total energy              =     -12.18967746 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2502  -4.1573  -3.7760  -3.3384

     highest occupied level (ev):    -3.3384

!    total energy              =     -12.18967749 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02551240    0.02879635   -0.05412634
     atom    2 type  2   force =    -0.00381884   -0.00953645    0.01421239
     atom    3 type  2   force =    -0.01226568   -0.01565619   -0.01343880
     atom    4 type  2   force =    -0.01774002    0.00608958    0.02967929
     atom    5 type  2   force =     0.00831214   -0.00969328    0.02215924

     Total force =     0.084736     Total SCF correction =     0.000113

     Entering Dynamics:    iteration =   147
                           time      =   0.0213 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4423799467        9.4338423055        9.5366143603
H            11.4517691739       11.4379070046        9.7149448917
H             9.2848837215        9.6313029295        6.8535452593
H             7.0649131893       10.2040683839       10.5861125655
H            10.1698277874        6.9379039631       10.3127285695


     kinetic energy (Ekin) =           0.01067617 Ry
     temperature           =         280.93909780 K 
     Ekin + Etot (const)   =         -12.17900131 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0003378180

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.2 secs

     total energy              =     -12.18980009 Ry
     estimated scf accuracy    <       0.00000880 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.2 secs

     total energy              =     -12.18980134 Ry
     estimated scf accuracy    <       0.00000303 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.2 secs

     total energy              =     -12.18980161 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.26E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2490  -4.1564  -3.7757  -3.3345

     highest occupied level (ev):    -3.3345

!    total energy              =     -12.18980164 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02574389    0.02682858   -0.05602384
     atom    2 type  2   force =    -0.00291349   -0.00883682    0.01450616
     atom    3 type  2   force =    -0.01239904   -0.01619353   -0.01163871
     atom    4 type  2   force =    -0.01843098    0.00636416    0.02701704
     atom    5 type  2   force =     0.00799961   -0.00816238    0.02168195

     Total force =     0.084146     Total SCF correction =     0.000120

     Entering Dynamics:    iteration =   148
                           time      =   0.0215 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4423917794        9.4338828370        9.5368313314
H            11.4484451401       11.4375206444        9.7042534354
H             9.2809139903        9.6308979631        6.8502866568
H             7.0682796821       10.2056296510       10.5901865308
H            10.1734227273        6.9359956570       10.3164504274


     kinetic energy (Ekin) =           0.01078782 Ry
     temperature           =         283.87687918 K 
     Ekin + Etot (const)   =         -12.17901383 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0014574982

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.2 secs

     total energy              =     -12.18993386 Ry
     estimated scf accuracy    <       0.00000904 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.13E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.2 secs

     total energy              =     -12.18993512 Ry
     estimated scf accuracy    <       0.00000311 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.2 secs

     total energy              =     -12.18993540 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.43E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2476  -4.1551  -3.7754  -3.3305

     highest occupied level (ev):    -3.3305

!    total energy              =     -12.18993543 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02586363    0.02482025   -0.05785914
     atom    2 type  2   force =    -0.00200470   -0.00812276    0.01476856
     atom    3 type  2   force =    -0.01252751   -0.01672861   -0.00979115
     atom    4 type  2   force =    -0.01899508    0.00660815    0.02259163
     atom    5 type  2   force =     0.00766367   -0.00657703    0.02117784

     Total force =     0.083179     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =   149
                           time      =   0.0216 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4424127052        9.4339320946        9.5370279604
H            11.4451013110       11.4370540766        9.6937078103
H             9.2768205570        9.6303278111        6.8469313722
H             7.0714586091       10.2072561699       10.5944835757
H            10.1770933416        6.9340224064       10.3203814045


     kinetic energy (Ekin) =           0.01089265 Ry
     temperature           =         286.63561571 K 
     Ekin + Etot (const)   =         -12.17904278 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0040018114

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.3 secs

     total energy              =     -12.19007523 Ry
     estimated scf accuracy    <       0.00000923 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.15E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.3 secs

     total energy              =     -12.19007649 Ry
     estimated scf accuracy    <       0.00000317 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.96E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.3 secs

     total energy              =     -12.19007678 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.57E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2459  -4.1533  -3.7750  -3.3265

     highest occupied level (ev):    -3.3265

!    total energy              =     -12.19007681 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02586268    0.02277354   -0.05961897
     atom    2 type  2   force =    -0.00109064   -0.00739492    0.01500426
     atom    3 type  2   force =    -0.01264598   -0.01725627   -0.00791056
     atom    4 type  2   force =    -0.01943527    0.00681831    0.01628500
     atom    5 type  2   force =     0.00730920   -0.00494066    0.02065075

     Total force =     0.082079     Total SCF correction =     0.000127

     Entering Dynamics:    iteration =   150
                           time      =   0.0218 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4424427237        9.4339893590        9.5372036287
H            11.4417467124       11.4365144881        9.6833103439
H             9.2726022517        9.6295872631        6.8434979753
H             7.0744456238       10.2089500157       10.5989414259
H            10.1808361302        6.9320003696       10.3245162962


     kinetic energy (Ekin) =           0.01097960 Ry
     temperature           =         288.92356586 K 
     Ekin + Etot (const)   =         -12.17909722 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0086333977

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.3 secs

     total energy              =     -12.19022163 Ry
     estimated scf accuracy    <       0.00000938 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.3 secs

     total energy              =     -12.19022290 Ry
     estimated scf accuracy    <       0.00000322 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.02E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.3 secs

     total energy              =     -12.19022319 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.69E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2440  -4.1512  -3.7744  -3.3225

     highest occupied level (ev):    -3.3225

!    total energy              =     -12.19022323 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02574756    0.02069781   -0.06130063
     atom    2 type  2   force =    -0.00017400   -0.00665561    0.01521336
     atom    3 type  2   force =    -0.01275306   -0.01777562   -0.00600755
     atom    4 type  2   force =    -0.01975825    0.00699604    0.00803799
     atom    5 type  2   force =     0.00693774   -0.00326262    0.02010420

     Total force =     0.081280     Total SCF correction =     0.000129

     Entering Dynamics:    iteration =   151
                           time      =   0.0219 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4424817945        9.4340539003        9.5373577450
H            11.4383903957       11.4359091792        9.6730631008
H             9.2682580171        9.6286711909        6.8400052571
H             7.0772375369       10.2107129436       10.6034786466
H            10.1846474250        6.9299461163       10.3288497055


     kinetic energy (Ekin) =           0.01103655 Ry
     temperature           =         290.42232527 K 
     Ekin + Etot (const)   =         -12.17918667 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0160475526

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.4 secs

     total energy              =     -12.19037001 Ry
     estimated scf accuracy    <       0.00000948 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.18E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.4 secs

     total energy              =     -12.19037128 Ry
     estimated scf accuracy    <       0.00000325 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.4 secs

     total energy              =     -12.19037158 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.79E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2420  -4.1487  -3.7737  -3.3185

     highest occupied level (ev):    -3.3185

!    total energy              =     -12.19037161 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02552799    0.01860119   -0.06290349
     atom    2 type  2   force =     0.00074265   -0.00590729    0.01539627
     atom    3 type  2   force =    -0.01284685   -0.01828573   -0.00409310
     atom    4 type  2   force =    -0.01997471    0.00714392   -0.00213909
     atom    5 type  2   force =     0.00655092   -0.00155209    0.01954189

     Total force =     0.081394     Total SCF correction =     0.000131

     Entering Dynamics:    iteration =   152
                           time      =   0.0221 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4425298405        9.4341249814        9.5374897458
H            11.4350414123       11.4352455391        9.6629678872
H             9.2637869271        9.6275745574        6.8364721220
H             7.0798322109       10.2125464136       10.6079947451
H            10.1885234066        6.9278765370       10.3333760801


     kinetic energy (Ekin) =           0.01105186 Ry
     temperature           =         290.82511895 K 
     Ekin + Etot (const)   =         -12.17931975 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0269507062

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.4 secs

     total energy              =     -12.19051683 Ry
     estimated scf accuracy    <       0.00000952 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.19E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.4 secs

     total energy              =     -12.19051810 Ry
     estimated scf accuracy    <       0.00000326 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.08E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.4 secs

     total energy              =     -12.19051839 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.85E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2398  -4.1459  -3.7728  -3.3145

     highest occupied level (ev):    -3.3145

!    total energy              =     -12.19051843 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02521714    0.01649085   -0.06442967
     atom    2 type  2   force =     0.00165671   -0.00515251    0.01555359
     atom    3 type  2   force =    -0.01292510   -0.01878585   -0.00217808
     atom    4 type  2   force =    -0.02009900    0.00726561   -0.01414643
     atom    5 type  2   force =     0.00615025    0.00018189    0.01896774

     Total force =     0.083123     Total SCF correction =     0.000132

     Entering Dynamics:    iteration =   153
                           time      =   0.0222 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4425867522        9.4342018603        9.5375990944
H            11.4317087879       11.4345310209        9.6530262566
H             9.2591882090        9.6262924241        6.8329174795
H             7.0822284186       10.2144516275       10.6123711555
H            10.1924601183        6.9258087537       10.3380897504


     kinetic energy (Ekin) =           0.01101623 Ry
     temperature           =         289.88759332 K 
     Ekin + Etot (const)   =         -12.17950219 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0420314015

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.5 secs

     total energy              =     -12.19065821 Ry
     estimated scf accuracy    <       0.00000949 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.19E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.5 secs

     total energy              =     -12.19065946 Ry
     estimated scf accuracy    <       0.00000325 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.5 secs

     total energy              =     -12.19065975 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.88E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2375  -4.1430  -3.7717  -3.3107

     highest occupied level (ev):    -3.3107

!    total energy              =     -12.19065978 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02483137    0.01437299   -0.06588400
     atom    2 type  2   force =     0.00256550   -0.00439390    0.01568615
     atom    3 type  2   force =    -0.01298519   -0.01927541   -0.00027326
     atom    4 type  2   force =    -0.02014879    0.00736581   -0.02777778
     atom    5 type  2   force =     0.00573711    0.00193051    0.01838594

     Total force =     0.087078     Total SCF correction =     0.000133

     Entering Dynamics:    iteration =   154
                           time      =   0.0224 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4426523941        9.4342837924        9.5376852797
H            11.4284014964       11.4337731154        9.6432395179
H             9.2544612694        9.6248199570        6.8293601386
H             7.0844256684       10.2164295745       10.6164732758
H            10.1964534809        6.9237600332       10.3429849716


     kinetic energy (Ekin) =           0.01092508 Ry
     temperature           =         287.48882713 K 
     Ekin + Etot (const)   =         -12.17973471 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0619243660

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.6 secs

     total energy              =     -12.19078995 Ry
     estimated scf accuracy    <       0.00000939 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.6 secs

     total energy              =     -12.19079118 Ry
     estimated scf accuracy    <       0.00000322 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.02E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.6 secs

     total energy              =     -12.19079147 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.87E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2351  -4.1400  -3.7703  -3.3070

     highest occupied level (ev):    -3.3070

!    total energy              =     -12.19079150 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02438981    0.01225284   -0.06727379
     atom    2 type  2   force =     0.00346633   -0.00363416    0.01579497
     atom    3 type  2   force =    -0.01302423   -0.01975396    0.00161073
     atom    4 type  2   force =    -0.02014470    0.00745013   -0.04270907
     atom    5 type  2   force =     0.00531279    0.00368515    0.01780088

     Total force =     0.093552     Total SCF correction =     0.000135

     Entering Dynamics:    iteration =   155
                           time      =   0.0225 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4427266110        9.4343700324        9.5377478129
H            11.4251284330       11.4329793246        9.6336087456
H             9.2496057228        9.6231524307        6.8258187029
H             7.0864240004       10.2184810875       10.6201536681
H            10.2004993042        6.9217477014       10.3480559665


     kinetic energy (Ekin) =           0.01078090 Ry
     temperature           =         283.69494394 K 
     Ekin + Etot (const)   =         -12.18001060 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.0871692218

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.6 secs

     total energy              =     -12.19090774 Ry
     estimated scf accuracy    <       0.00000923 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.15E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.6 secs

     total energy              =     -12.19090894 Ry
     estimated scf accuracy    <       0.00000316 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.6 secs

     total energy              =     -12.19090923 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.81E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2327  -4.1370  -3.7688  -3.3034

     highest occupied level (ev):    -3.3034

!    total energy              =     -12.19090925 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02391373    0.01013476   -0.06860848
     atom    2 type  2   force =     0.00435647   -0.00287603    0.01588119
     atom    3 type  2   force =    -0.01303905   -0.02022119    0.00346351
     atom    4 type  2   force =    -0.02010960    0.00752497   -0.05849553
     atom    5 type  2   force =     0.00487845    0.00543749    0.01721711

     Total force =     0.102394     Total SCF correction =     0.000136

     Entering Dynamics:    iteration =   156
                           time      =   0.0226 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4428092354        9.4344598355        9.5377862249
H            11.4218983873       11.4321571347        9.6241347911
H             9.2446214230        9.6212852315        6.8223114673
H             7.0882237615       10.2206069052       10.6232564499
H            10.2045932994        6.9197890618       10.3532969708


     kinetic energy (Ekin) =           0.01059541 Ry
     temperature           =         278.81395281 K 
     Ekin + Etot (const)   =         -12.18031384 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.1181664368

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.7 secs

     total energy              =     -12.19100728 Ry
     estimated scf accuracy    <       0.00000902 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.13E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.7 secs

     total energy              =     -12.19100846 Ry
     estimated scf accuracy    <       0.00000309 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.7 secs

     total energy              =     -12.19100873 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.72E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2303  -4.1341  -3.7670  -3.2999

     highest occupied level (ev):    -3.2999

!    total energy              =     -12.19100875 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02342586    0.00802244   -0.06989918
     atom    2 type  2   force =     0.00523316   -0.00212233    0.01594606
     atom    3 type  2   force =    -0.01302640   -0.02067684    0.00527494
     atom    4 type  2   force =    -0.02006778    0.00759724   -0.07458002
     atom    5 type  2   force =     0.00443516    0.00717950    0.01663926

     Total force =     0.113053     Total SCF correction =     0.000139

     Entering Dynamics:    iteration =   157
                           time      =   0.0228 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4429000958        9.4345524592        9.5378000618
H            11.4187200162       11.4313139879        9.6148182950
H             9.2395084947        9.6192138600        6.8188563188
H             7.0898253646       10.2228077414       10.6256227959
H            10.2087310894        6.9179013158       10.3587022783


     kinetic energy (Ekin) =           0.01039074 Ry
     temperature           =         273.42792250 K 
     Ekin + Etot (const)   =         -12.18061802 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.1551341525

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.7 secs

     total energy              =     -12.19108444 Ry
     estimated scf accuracy    <       0.00000878 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.7 secs

     total energy              =     -12.19108559 Ry
     estimated scf accuracy    <       0.00000302 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.7 secs

     total energy              =     -12.19108586 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.61E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2280  -4.1316  -3.7649  -3.2966

     highest occupied level (ev):    -3.2966

!    total energy              =     -12.19108588 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02294939    0.00591908   -0.07115791
     atom    2 type  2   force =     0.00609364   -0.00137595    0.01599089
     atom    3 type  2   force =    -0.01298300   -0.02112075    0.00703526
     atom    4 type  2   force =    -0.02004397    0.00767409   -0.09031417
     atom    5 type  2   force =     0.00398394    0.00890354    0.01607190

     Total force =     0.124719     Total SCF correction =     0.000142

     Entering Dynamics:    iteration =   158
                           time      =   0.0229 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4429990248        9.4346471639        9.5377888811
H            11.4156018163       11.4304572544        9.6056597000
H             9.2342673665        9.6169339330        6.8154706396
H             7.0912290448       10.2250843550       10.6270973402
H            10.2129082185        6.9161014872       10.3642662869


     kinetic energy (Ekin) =           0.01019924 Ry
     temperature           =         268.38864554 K 
     Ekin + Etot (const)   =         -12.18088665 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.1980703351

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.8 secs

     total energy              =     -12.19113546 Ry
     estimated scf accuracy    <       0.00000856 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.07E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.8 secs

     total energy              =     -12.19113658 Ry
     estimated scf accuracy    <       0.00000295 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.69E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.8 secs

     total energy              =     -12.19113685 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.48E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2258  -4.1293  -3.7626  -3.2935

     highest occupied level (ev):    -3.2935

!    total energy              =     -12.19113686 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02250704    0.00382764   -0.07239676
     atom    2 type  2   force =     0.00693515   -0.00063979    0.01601702
     atom    3 type  2   force =    -0.01290571   -0.02155276    0.00873513
     atom    4 type  2   force =    -0.02006223    0.00776253   -0.10499269
     atom    5 type  2   force =     0.00352575    0.01060238    0.01551942

     Total force =     0.136480     Total SCF correction =     0.000147

     Entering Dynamics:    iteration =   159
                           time      =   0.0231 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4431058667        9.4347432143        9.5377522472
H            11.4125520971       11.4295942032        9.5966592640
H             9.2288988017        9.6144411847        6.8121712149
H             7.0924346217       10.2274376192       10.6275351407
H            10.2171201625        6.9144063511       10.3699835410


     kinetic energy (Ekin) =           0.01006159 Ry
     temperature           =         264.76663068 K 
     Ekin + Etot (const)   =         -12.18107527 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.2467250664

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.8 secs

     total energy              =     -12.19115699 Ry
     estimated scf accuracy    <       0.00000839 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.05E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.8 secs

     total energy              =     -12.19115811 Ry
     estimated scf accuracy    <       0.00000290 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.8 secs

     total energy              =     -12.19115837 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.37E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2238  -4.1276  -3.7600  -3.2906

     highest occupied level (ev):    -3.2906

!    total energy              =     -12.19115838 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02211981    0.00175116   -0.07362697
     atom    2 type  2   force =     0.00775500    0.00008323    0.01602582
     atom    3 type  2   force =    -0.01279165   -0.02197268    0.01036557
     atom    4 type  2   force =    -0.02014477    0.00786906   -0.11789902
     atom    5 type  2   force =     0.00306161    0.01226923    0.01498599

     Total force =     0.147433     Total SCF correction =     0.000155

     Entering Dynamics:    iteration =   160
                           time      =   0.0232 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4432204856        9.4348398803        9.5376897277
H            11.4095789541       11.4287319740        9.5878170741
H             9.2234039266        9.6117314684        6.8089741443
H             7.0934412803       10.2298685859       10.6268087546
H            10.2213623382        6.9128323669       10.3758487732


     kinetic energy (Ekin) =           0.01002299 Ry
     temperature           =         263.75086322 K 
     Ekin + Etot (const)   =         -12.18113538 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.3005875310

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.9 secs

     total energy              =     -12.19114637 Ry
     estimated scf accuracy    <       0.00000834 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.9 secs

     total energy              =     -12.19114749 Ry
     estimated scf accuracy    <       0.00000289 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.9 secs

     total energy              =     -12.19114776 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.28E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2219  -4.1264  -3.7572  -3.2878

     highest occupied level (ev):    -3.2878

!    total energy              =     -12.19114776 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02180588   -0.00030718   -0.07485807
     atom    2 type  2   force =     0.00855059    0.00079022    0.01601843
     atom    3 type  2   force =    -0.01263865   -0.02238023    0.01191794
     atom    4 type  2   force =    -0.02031065    0.00800003   -0.12835868
     atom    5 type  2   force =     0.00259283    0.01389716    0.01447578

     Total force =     0.156762     Total SCF correction =     0.000162

     Entering Dynamics:    iteration =   161
                           time      =   0.0234 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4433427708        9.4349364384        9.5376008896
H            11.4066902435       11.4278775477        9.5791330571
H             9.2177842519        9.6088007600        6.8058947567
H             7.0942473827       10.2323785484       10.6248148986
H            10.2256301165        6.9113956092       10.3818569457


     kinetic energy (Ekin) =           0.01012774 Ry
     temperature           =         266.50737369 K 
     Ekin + Etot (const)   =         -12.18102002 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.3588912577

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        6.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        6.9 secs

     total energy              =     -12.19110164 Ry
     estimated scf accuracy    <       0.00000842 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.05E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.9 secs

     total energy              =     -12.19110280 Ry
     estimated scf accuracy    <       0.00000292 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        6.9 secs

     total energy              =     -12.19110306 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.19E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        6.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2202  -4.1258  -3.7540  -3.2853

     highest occupied level (ev):    -3.2853

!    total energy              =     -12.19110306 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02157989   -0.00234367   -0.07609699
     atom    2 type  2   force =     0.00931920    0.00147833    0.01599557
     atom    3 type  2   force =    -0.01244540   -0.02277488    0.01338464
     atom    4 type  2   force =    -0.02057440    0.00816171   -0.13579525
     atom    5 type  2   force =     0.00212070    0.01547851    0.01399295

     Total force =     0.163798     Total SCF correction =     0.000156

     Entering Dynamics:    iteration =   162
                           time      =   0.0235 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4434726432        9.4350321725        9.5374852975
H            11.4038935547       11.4270377190        9.5706069875
H             9.2120416858        9.6056451624        6.8029475349
H             7.0948503244       10.2349691032       10.6214801408
H            10.2299188356        6.9101116932       10.3880032907


     kinetic energy (Ekin) =           0.01041307 Ry
     temperature           =         274.01567152 K 
     Ekin + Etot (const)   =         -12.18068999 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.4206394480

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.0 secs

     total energy              =     -12.19102181 Ry
     estimated scf accuracy    <       0.00000894 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.12E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.0 secs

     total energy              =     -12.19102291 Ry
     estimated scf accuracy    <       0.00000300 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.75E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.0 secs

     total energy              =     -12.19102315 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.80E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2186  -4.1256  -3.7504  -3.2829

     highest occupied level (ev):    -3.2829

!    total energy              =     -12.19102319 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02145331   -0.00434992   -0.07734098
     atom    2 type  2   force =     0.01005787    0.00214204    0.01595553
     atom    3 type  2   force =    -0.01221654   -0.02315129    0.01475228
     atom    4 type  2   force =    -0.02094412    0.00836303   -0.13978433
     atom    5 type  2   force =     0.00164949    0.01699614    0.01354722

     Total force =     0.168069     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =   163
                           time      =   0.0237 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4436100580        9.4351263772        9.5373425139
H            11.4011961818       11.4262190419        9.5622384698
H             9.2061784883        9.6022609588        6.8001459836
H             7.0952464547       10.2376422382       10.6167650913
H            10.2342238425        6.9089956044       10.3942834068


     kinetic energy (Ekin) =           0.01090317 Ry
     temperature           =         286.91237839 K 
     Ekin + Etot (const)   =         -12.18012002 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.4846499517

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.1 secs

     total energy              =     -12.19090647 Ry
     estimated scf accuracy    <       0.00000913 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.14E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.1 secs

     total energy              =     -12.19090766 Ry
     estimated scf accuracy    <       0.00000308 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.86E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.1 secs

     total energy              =     -12.19090790 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2174  -4.1265  -3.7467  -3.2807

     highest occupied level (ev):    -3.2807

!    total energy              =     -12.19090793 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02142751   -0.00632167   -0.07860287
     atom    2 type  2   force =     0.01076609    0.00278362    0.01590211
     atom    3 type  2   force =    -0.01193979   -0.02352244    0.01603604
     atom    4 type  2   force =    -0.02142555    0.00858830   -0.14008058
     atom    5 type  2   force =     0.00117174    0.01847220    0.01312491

     Total force =     0.169344     Total SCF correction =     0.000086

     Entering Dynamics:    iteration =   164
                           time      =   0.0238 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4437550063        9.4352183594        9.5371720953
H            11.3986051178       11.4254278513        9.5540269765
H             9.2001973921        9.5986444844        6.7975027792
H             7.0954310198       10.2404001778       10.6106668248
H            10.2385404196        6.9080619183       10.4006931240


     kinetic energy (Ekin) =           0.01160437 Ry
     temperature           =         305.36411965 K 
     Ekin + Etot (const)   =         -12.17930357 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.5496169519

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.1 secs

     total energy              =     -12.19075656 Ry
     estimated scf accuracy    <       0.00000985 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.23E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.1 secs

     total energy              =     -12.19075782 Ry
     estimated scf accuracy    <       0.00000332 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.15E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.1 secs

     total energy              =     -12.19075809 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.85E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2165  -4.1280  -3.7426  -3.2787

     highest occupied level (ev):    -3.2787

!    total energy              =     -12.19075813 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02150476   -0.00824999   -0.07987142
     atom    2 type  2   force =     0.01143905    0.00339779    0.01583514
     atom    3 type  2   force =    -0.01162152   -0.02388006    0.01721978
     atom    4 type  2   force =    -0.02201482    0.00884682   -0.13665701
     atom    5 type  2   force =     0.00069252    0.01988544    0.01273533

     Total force =     0.167634     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   165
                           time      =   0.0239 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4439075152        9.4353074411        9.5369735956
H            11.3961270080       11.4246702121        9.5459718463
H             9.1941015399        9.5947922078        6.7950296104
H             7.0953982009       10.2432454748       10.6032191470
H            10.2428638350        6.9073245898       10.4072285955


     kinetic energy (Ekin) =           0.01250287 Ry
     temperature           =         329.00784684 K 
     Ekin + Etot (const)   =         -12.17825526 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6141841864

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.2 secs

     total energy              =     -12.19057398 Ry
     estimated scf accuracy    <       0.00001071 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.2 secs

     total energy              =     -12.19057533 Ry
     estimated scf accuracy    <       0.00000359 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.2 secs

     total energy              =     -12.19057563 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.02E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2158  -4.1303  -3.7383  -3.2768

     highest occupied level (ev):    -3.2768

!    total energy              =     -12.19057567 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02167907   -0.01012562   -0.08113799
     atom    2 type  2   force =     0.01207493    0.00398184    0.01575370
     atom    3 type  2   force =    -0.01126283   -0.02422467    0.01829991
     atom    4 type  2   force =    -0.02270399    0.00913528   -0.12969595
     atom    5 type  2   force =     0.00021282    0.02123317    0.01237884

     Total force =     0.163213     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   166
                           time      =   0.0241 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4440676460        9.4353929628        9.5367465694
H            11.3937681313       11.4239518913        9.5380722751
H             9.1878944736        9.5907007261        6.7927371429
H             7.0951411929       10.2461809775       10.5944907946
H            10.2471893519        6.9067969269       10.4138863010


     kinetic energy (Ekin) =           0.01356559 Ry
     temperature           =         356.97285543 K 
     Ekin + Etot (const)   =         -12.17701009 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6770228778

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.2 secs

     total energy              =     -12.19036173 Ry
     estimated scf accuracy    <       0.00001171 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.2 secs

     total energy              =     -12.19036319 Ry
     estimated scf accuracy    <       0.00000391 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.2 secs

     total energy              =     -12.19036352 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.24E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2153  -4.1332  -3.7336  -3.2752

     highest occupied level (ev):    -3.2752

!    total energy              =     -12.19036358 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02193901   -0.01193811   -0.08239016
     atom    2 type  2   force =     0.01267138    0.00453294    0.01565751
     atom    3 type  2   force =    -0.01086558   -0.02455594    0.01927363
     atom    4 type  2   force =    -0.02347839    0.00944946   -0.11957583
     atom    5 type  2   force =    -0.00026642    0.02251165    0.01205528

     Total force =     0.156595     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   167
                           time      =   0.0242 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4442354901        9.4354742873        9.5364905767
H            11.3915343774       11.4232783307        9.5303273128
H             9.1815801158        9.5863667684        6.7906349917
H             7.0946523489       10.2492097884       10.5845816979
H            10.2515122381        6.9064915539       10.4206630457


     kinetic energy (Ekin) =           0.01474363 Ry
     temperature           =         387.97252094 K 
     Ekin + Etot (const)   =         -12.17561995 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7369068295

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.3 secs

     total energy              =     -12.19012395 Ry
     estimated scf accuracy    <       0.00001280 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.3 secs

     total energy              =     -12.19012554 Ry
     estimated scf accuracy    <       0.00000426 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.3 secs

     total energy              =     -12.19012590 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.49E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2150  -4.1367  -3.7287  -3.2738

     highest occupied level (ev):    -3.2738

!    total energy              =     -12.19012597 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02226763   -0.01367617   -0.08361307
     atom    2 type  2   force =     0.01322536    0.00504923    0.01554501
     atom    3 type  2   force =    -0.01043253   -0.02487356    0.02014053
     atom    4 type  2   force =    -0.02431680    0.00978326   -0.10683513
     atom    5 type  2   force =    -0.00074366    0.02371723    0.01176484

     Total force =     0.148497     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   168
                           time      =   0.0244 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4444111631        9.4355508036        9.5362051874
H            11.3894312165       11.4226546285        9.5227358489
H             9.1751627427        9.5817871982        6.7887317169
H             7.0939233902       10.2523352034       10.5736176644
H            10.2558277811        6.9064203752       10.4275559615


     kinetic energy (Ekin) =           0.01597817 Ry
     temperature           =         420.45900380 K 
     Ekin + Etot (const)   =         -12.17414780 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7927775928

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.3 secs

     total energy              =     -12.18986586 Ry
     estimated scf accuracy    <       0.00001389 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.74E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.3 secs

     total energy              =     -12.18986757 Ry
     estimated scf accuracy    <       0.00000460 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.3 secs

     total energy              =     -12.18986797 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2149  -4.1408  -3.7234  -3.2725

     highest occupied level (ev):    -3.2725

!    total energy              =     -12.18986805 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02264509   -0.01532697   -0.08478697
     atom    2 type  2   force =     0.01373635    0.00552657    0.01541770
     atom    3 type  2   force =    -0.00996666   -0.02517679    0.02089616
     atom    4 type  2   force =    -0.02519626    0.01012972   -0.09212152
     atom    5 type  2   force =    -0.00121852    0.02484746    0.01150490

     Total force =     0.139780     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   169
                           time      =   0.0245 pico-seconds


     Velocity rescaling: T ( 420.5K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4445675143        9.4356100477        9.5359343118
H            11.3877903303       11.4221823635        9.5164756350
H             9.1696436185        9.5776702615        6.7873303723
H             7.0930588451       10.2550752444       10.5634467757
H            10.2594610570        6.9066056059       10.4334919624


     kinetic energy (Ekin) =           0.01235728 Ry
     temperature           =         325.17667980 K 
     Ekin + Etot (const)   =         -12.17751077 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7165058419

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.4 secs

     total energy              =     -12.18963746 Ry
     estimated scf accuracy    <       0.00001080 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.4 secs

     total energy              =     -12.18963878 Ry
     estimated scf accuracy    <       0.00000357 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.46E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.4 secs

     total energy              =     -12.18963909 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.18E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2149  -4.1446  -3.7187  -3.2718

     highest occupied level (ev):    -3.2718

!    total energy              =     -12.18963916 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02299040   -0.01662196   -0.08571375
     atom    2 type  2   force =     0.01412268    0.00589016    0.01529266
     atom    3 type  2   force =    -0.00954799   -0.02541999    0.02142546
     atom    4 type  2   force =    -0.02595264    0.01042782   -0.07993266
     atom    5 type  2   force =    -0.00161244    0.02572397    0.01132126

     Total force =     0.133342     Total SCF correction =     0.000094

     Entering Dynamics:    iteration =   170
                           time      =   0.0247 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4447319484        9.4356634479        9.5356333011
H            11.3862888976       11.4217682606        9.5103664275
H             9.1640302133        9.5733023166        6.7861405919
H             7.0919380323       10.2579182543       10.5524865970
H            10.2630784110        6.9070448463       10.4395397544


     kinetic energy (Ekin) =           0.01337977 Ry
     temperature           =         352.08316649 K 
     Ekin + Etot (const)   =         -12.17625938 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7627614859

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.5 secs

     total energy              =     -12.18940364 Ry
     estimated scf accuracy    <       0.00001169 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.5 secs

     total energy              =     -12.18940506 Ry
     estimated scf accuracy    <       0.00000386 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.82E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.5 secs

     total energy              =     -12.18940540 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2150  -4.1488  -3.7136  -3.2713

     highest occupied level (ev):    -3.2713

!    total energy              =     -12.18940547 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02334092   -0.01780999   -0.08656142
     atom    2 type  2   force =     0.01446289    0.00621259    0.01515398
     atom    3 type  2   force =    -0.00910263   -0.02564681    0.02184222
     atom    4 type  2   force =    -0.02669824    0.01072087   -0.06663201
     atom    5 type  2   force =    -0.00200295    0.02652334    0.01116221

     Total force =     0.127081     Total SCF correction =     0.000101

     Entering Dynamics:    iteration =   171
                           time      =   0.0248 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4449045887        9.4357105864        9.5353018572
H            11.3849302779       11.4214155035        9.5044068570
H             9.1583269246        9.5686811239        6.7851664913
H             7.0905535893       10.2608671267       10.5408684645
H            10.2666759871        6.9077459897       10.4456977669


     kinetic energy (Ekin) =           0.01436318 Ry
     temperature           =         377.96122376 K 
     Ekin + Etot (const)   =         -12.17504229 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8045068716

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.5 secs

     total energy              =     -12.18917092 Ry
     estimated scf accuracy    <       0.00001249 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.5 secs

     total energy              =     -12.18917243 Ry
     estimated scf accuracy    <       0.00000412 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.15E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.5 secs

     total energy              =     -12.18917280 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2152  -4.1533  -3.7081  -3.2711

     highest occupied level (ev):    -3.2711

!    total energy              =     -12.18917288 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02367469   -0.01887916   -0.08731382
     atom    2 type  2   force =     0.01475541    0.00649250    0.01499916
     atom    3 type  2   force =    -0.00863666   -0.02585843    0.02214922
     atom    4 type  2   force =    -0.02740711    0.01100236   -0.05277361
     atom    5 type  2   force =    -0.00238633    0.02724275    0.01102655

     Total force =     0.121598     Total SCF correction =     0.000106

     Entering Dynamics:    iteration =   172
                           time      =   0.0250 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4450855525        9.4357510875        9.5349397156
H            11.3837173595       11.4211268562        9.4985953949
H             9.1525383538        9.5638045937        6.7844111018
H             7.0888985166       10.2639246412       10.5287292222
H            10.2702499994        6.9087161400       10.4519646603


     kinetic energy (Ekin) =           0.01527191 Ry
     temperature           =         401.87390843 K 
     Ekin + Etot (const)   =         -12.17390097 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8414345315

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.6 secs

     total energy              =     -12.18894556 Ry
     estimated scf accuracy    <       0.00001319 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.6 secs

     total energy              =     -12.18894716 Ry
     estimated scf accuracy    <       0.00000434 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.6 secs

     total energy              =     -12.18894755 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.75E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2154  -4.1579  -3.7024  -3.2713

     highest occupied level (ev):    -3.2713

!    total energy              =     -12.18894763 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02396825   -0.01981901   -0.08795537
     atom    2 type  2   force =     0.01499907    0.00672871    0.01482764
     atom    3 type  2   force =    -0.00815392   -0.02605442    0.02234780
     atom    4 type  2   force =    -0.02805212    0.01126389   -0.03887613
     atom    5 type  2   force =    -0.00276128    0.02788083    0.00949578

     Total force =     0.117212     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   173
                           time      =   0.0251 pico-seconds


     Velocity rescaling: T ( 401.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4452503327        9.4357791126        9.5345959007
H            11.3828175007       11.4209439060        9.4937206833
H             9.1474564905        9.5593339797        6.7839791143
H             7.0871915283       10.2666775703       10.5178569892
H            10.2733106940        6.9098296612       10.4574730464


     kinetic energy (Ekin) =           0.01204413 Ry
     temperature           =         316.93634174 K 
     Ekin + Etot (const)   =         -12.17690350 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7569226933

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.6 secs

     total energy              =     -12.18876677 Ry
     estimated scf accuracy    <       0.00001032 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.29E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.6 secs

     total energy              =     -12.18876803 Ry
     estimated scf accuracy    <       0.00000340 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.6 secs

     total energy              =     -12.18876833 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.22E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2155  -4.1620  -3.6970  -3.2718

     highest occupied level (ev):    -3.2718

!    total energy              =     -12.18876840 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02416134   -0.02049071   -0.08838831
     atom    2 type  2   force =     0.01516029    0.00689030    0.01466212
     atom    3 type  2   force =    -0.00772599   -0.02621018    0.02241414
     atom    4 type  2   force =    -0.02852292    0.01146196   -0.02820999
     atom    5 type  2   force =    -0.00307272    0.02834862    0.00581886

     Total force =     0.114652     Total SCF correction =     0.000098

     Entering Dynamics:    iteration =   174
                           time      =   0.0253 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4454236074        9.4357999337        9.5342210103
H            11.3820673412       11.4208289936        9.4889907520
H             9.1422983373        9.5546045549        6.7837684538
H             7.0852028921       10.2695436799       10.5067061982
H            10.2763410473        6.9112231091       10.4630388905


     kinetic energy (Ekin) =           0.01264661 Ry
     temperature           =         332.79032183 K 
     Ekin + Etot (const)   =         -12.17612179 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7857720928

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.7 secs

     total energy              =     -12.18860800 Ry
     estimated scf accuracy    <       0.00001075 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.7 secs

     total energy              =     -12.18860931 Ry
     estimated scf accuracy    <       0.00000354 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.7 secs

     total energy              =     -12.18860963 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.32E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2156  -4.1661  -3.6914  -3.2727

     highest occupied level (ev):    -3.2727

!    total energy              =     -12.18860970 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02427444   -0.02101415   -0.08869214
     atom    2 type  2   force =     0.01527174    0.00700555    0.01448054
     atom    3 type  2   force =    -0.00728848   -0.02634554    0.02237134
     atom    4 type  2   force =    -0.02888473    0.01162532   -0.01783250
     atom    5 type  2   force =    -0.00337297    0.02872882   -0.00008132

     Total force =     0.112965     Total SCF correction =     0.000099

     Entering Dynamics:    iteration =   175
                           time      =   0.0254 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4456054166        9.4358133666        9.5338149376
H            11.3814679815       11.4207832571        9.4844038078
H             9.1370682145        9.5496149827        6.7837786978
H             7.0829290355       10.2725245830       10.4953793214
H            10.2793380943        6.9129002381       10.4686039316


     kinetic energy (Ekin) =           0.01315299 Ry
     temperature           =         346.11543822 K 
     Ekin + Etot (const)   =         -12.17545671 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8126703321

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.8 secs

     total energy              =     -12.18847391 Ry
     estimated scf accuracy    <       0.00001104 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.8 secs

     total energy              =     -12.18847526 Ry
     estimated scf accuracy    <       0.00000364 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.8 secs

     total energy              =     -12.18847558 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.32E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2156  -4.1703  -3.6853  -3.2740

     highest occupied level (ev):    -3.2740

!    total energy              =     -12.18847566 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02428884   -0.02137115   -0.08887360
     atom    2 type  2   force =     0.01533322    0.00707474    0.01428755
     atom    3 type  2   force =    -0.00684757   -0.02646151    0.02222655
     atom    4 type  2   force =    -0.02911977    0.01174285   -0.00800503
     atom    5 type  2   force =    -0.00365472    0.02901507   -0.00818099

     Total force =     0.112462     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   176
                           time      =   0.0255 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4457957652        9.4358192858        9.5333776189
H            11.3810200288       11.4208073797        9.4799579450
H             9.1317704758        9.5443641179        6.7840084165
H             7.0803676375       10.2756214401       10.4839733993
H            10.2822990531        6.9148638745       10.4740881900


     kinetic energy (Ekin) =           0.01354844 Ry
     temperature           =         356.52170351 K 
     Ekin + Etot (const)   =         -12.17492721 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8386015087

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.8 secs

     total energy              =     -12.18836794 Ry
     estimated scf accuracy    <       0.00001120 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.8 secs

     total energy              =     -12.18836933 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.8 secs

     total energy              =     -12.18836966 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2156  -4.1745  -3.6789  -3.2758

     highest occupied level (ev):    -3.2758

!    total energy              =     -12.18836974 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02418947   -0.02156198   -0.08891400
     atom    2 type  2   force =     0.01534449    0.00710001    0.01407332
     atom    3 type  2   force =    -0.00640383   -0.02655648    0.02197782
     atom    4 type  2   force =    -0.02920923    0.01181704    0.00107361
     atom    5 type  2   force =    -0.00392090    0.02920141   -0.01839203

     Total force =     0.113443     Total SCF correction =     0.000102

     Entering Dynamics:    iteration =   177
                           time      =   0.0257 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4459946183        9.4358176244        9.5329090399
H            11.3807235943       11.4209016109        9.4756510484
H             9.1264095028        9.5388510227        6.7844551538
H             7.0775178149       10.2788349839       10.4725780785
H            10.2852212951        6.9171158584       10.4793908375


     kinetic energy (Ekin) =           0.01382548 Ry
     temperature           =         363.81190084 K 
     Ekin + Etot (const)   =         -12.17454425 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8646127834

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.9 secs

     total energy              =     -12.18829273 Ry
     estimated scf accuracy    <       0.00001128 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.9 secs

     total energy              =     -12.18829414 Ry
     estimated scf accuracy    <       0.00000372 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.9 secs

     total energy              =     -12.18829447 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.43E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2155  -4.1787  -3.6720  -3.2780

     highest occupied level (ev):    -3.2780

!    total energy              =     -12.18829455 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02395984   -0.02156815   -0.08882600
     atom    2 type  2   force =     0.01530533    0.00708028    0.01384344
     atom    3 type  2   force =    -0.00596206   -0.02662766    0.02162959
     atom    4 type  2   force =    -0.02913856    0.01183752    0.00926469
     atom    5 type  2   force =    -0.00416456    0.02927801   -0.03052587

     Total force =     0.116186     Total SCF correction =     0.000100

     Entering Dynamics:    iteration =   178
                           time      =   0.0258 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4462018952        9.4358083800        9.5324092316
H            11.3805782914       11.4210657559        9.4714808480
H             9.1209896579        9.5330749943        6.7851154713
H             7.0743802653       10.2821654166       10.4612742413
H            10.2881024144        6.9196569462       10.4843920591


     kinetic energy (Ekin) =           0.01398484 Ry
     temperature           =         368.00525049 K 
     Ekin + Etot (const)   =         -12.17430971 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8917619269

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        7.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        7.9 secs

     total energy              =     -12.18824990 Ry
     estimated scf accuracy    <       0.00001125 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        7.9 secs

     total energy              =     -12.18825133 Ry
     estimated scf accuracy    <       0.00000371 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.9 secs

     total energy              =     -12.18825167 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.56E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        7.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2153  -4.1830  -3.6648  -3.2806

     highest occupied level (ev):    -3.2806

!    total energy              =     -12.18825174 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02358664   -0.02137363   -0.08861588
     atom    2 type  2   force =     0.01521162    0.00701643    0.01360039
     atom    3 type  2   force =    -0.00552161   -0.02667298    0.02118078
     atom    4 type  2   force =    -0.02889283    0.01179659    0.01648748
     atom    5 type  2   force =    -0.00438382    0.02923359   -0.04428504

     Total force =     0.120842     Total SCF correction =     0.000096

     Entering Dynamics:    iteration =   179
                           time      =   0.0260 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4464174646        9.4357916211        9.5318782678
H            11.3805831947       11.4212991842        9.4674449438
H             9.1155152901        9.5270355853        6.7859849370
H             7.0709574152       10.2856123340       10.4501332087
H            10.2909402460        6.9224866994       10.4889559909


     kinetic energy (Ekin) =           0.01403645 Ry
     temperature           =         369.36335186 K 
     Ekin + Etot (const)   =         -12.17421529 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9210581295

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.0 secs

     total energy              =     -12.18823995 Ry
     estimated scf accuracy    <       0.00001117 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.0 secs

     total energy              =     -12.18824138 Ry
     estimated scf accuracy    <       0.00000367 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.0 secs

     total energy              =     -12.18824172 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2151  -4.1873  -3.6571  -3.2837

     highest occupied level (ev):    -3.2837

!    total energy              =     -12.18824180 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02305704   -0.02097154   -0.08829844
     atom    2 type  2   force =     0.01507209    0.00690819    0.01334236
     atom    3 type  2   force =    -0.00509364   -0.02668888    0.02064140
     atom    4 type  2   force =    -0.02846714    0.01169504    0.02270790
     atom    5 type  2   force =    -0.00456835    0.02905719   -0.05924938

     Total force =     0.127372     Total SCF correction =     0.000094

     Entering Dynamics:    iteration =   180
                           time      =   0.0261 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4466411404        9.4357674891        9.5313162602
H            11.3807369265       11.4216008270        9.4635407879
H             9.1099906256        9.5207326385        6.7870582249
H             7.0672534681       10.2891747333       10.4392164039
H            10.2937329677        6.9256033759       10.4929348684


     kinetic energy (Ekin) =           0.01400045 Ry
     temperature           =         368.41595310 K 
     Ekin + Etot (const)   =         -12.17424135 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9533997068

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.1 secs

     total energy              =     -12.18826218 Ry
     estimated scf accuracy    <       0.00001101 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.1 secs

     total energy              =     -12.18826360 Ry
     estimated scf accuracy    <       0.00000360 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.1 secs

     total energy              =     -12.18826395 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.59E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2149  -4.1918  -3.6489  -3.2873

     highest occupied level (ev):    -3.2873

!    total energy              =     -12.18826402 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02236206   -0.02034601   -0.08788561
     atom    2 type  2   force =     0.01488338    0.00675672    0.01307170
     atom    3 type  2   force =    -0.00467761   -0.02667224    0.02001136
     atom    4 type  2   force =    -0.02785282    0.01152692    0.02793834
     atom    5 type  2   force =    -0.00471501    0.02873461   -0.07488394

     Total force =     0.135478     Total SCF correction =     0.000092

     Entering Dynamics:    iteration =   181
                           time      =   0.0263 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4468726782        9.4357362039        9.5307233539
H            11.3810376233       11.4219691886        9.4597657077
H             9.1044197722        9.5141663183        6.7883291138
H             7.0632744901       10.2928509546       10.4285754746
H            10.2964791312        6.9290037906       10.4961743090


     kinetic energy (Ekin) =           0.01390756 Ry
     temperature           =         365.97161399 K 
     Ekin + Etot (const)   =         -12.17435646 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9895130150

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.1 secs

     total energy              =     -12.18831458 Ry
     estimated scf accuracy    <       0.00001084 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.1 secs

     total energy              =     -12.18831599 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.1 secs

     total energy              =     -12.18831634 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.66E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2147  -4.1964  -3.6403  -3.2913

     highest occupied level (ev):    -3.2913

!    total energy              =     -12.18831641 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02149577   -0.01948528   -0.08739394
     atom    2 type  2   force =     0.01464834    0.00656328    0.01278859
     atom    3 type  2   force =    -0.00427774   -0.02662028    0.01929381
     atom    4 type  2   force =    -0.02704613    0.01129095    0.03222610
     atom    5 type  2   force =    -0.00482024    0.02825133   -0.09055009

     Total force =     0.144631     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   182
                           time      =   0.0264 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4471117735        9.4356980680        9.5300997217
H            11.3814829642       11.4224023589        9.4561169076
H             9.0988066786        9.5073371378        6.7897905182
H             7.0590284467       10.2966386676       10.4182527598
H            10.2991776976        6.9326831714       10.4985196183


     kinetic energy (Ekin) =           0.01379844 Ry
     temperature           =         363.10025625 K 
     Ekin + Etot (const)   =         -12.17451797 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.0298974576

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.2 secs

     total energy              =     -12.18839385 Ry
     estimated scf accuracy    <       0.00001069 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.2 secs

     total energy              =     -12.18839525 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.2 secs

     total energy              =     -12.18839561 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.70E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2145  -4.2014  -3.6312  -3.2958

     highest occupied level (ev):    -3.2958

!    total energy              =     -12.18839568 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02045010   -0.01837306   -0.08684193
     atom    2 type  2   force =     0.01436444    0.00632786    0.01249611
     atom    3 type  2   force =    -0.00389476   -0.02652914    0.01849239
     atom    4 type  2   force =    -0.02604657    0.01098243    0.03564230
     atom    5 type  2   force =    -0.00487320    0.02759191   -0.10553613

     Total force =     0.154120     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   183
                           time      =   0.0266 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4473580585        9.4356534726        9.5294455578
H            11.3820701458       11.4228980132        9.4525914996
H             9.0931551264        9.5002459969        6.7914345246
H             7.0545252081       10.3005348259       10.4082819927
H            10.3018281439        6.9366350068       10.4998228177


     kinetic energy (Ekin) =           0.01372170 Ry
     temperature           =         361.08075996 K 
     Ekin + Etot (const)   =         -12.17467398 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.0747817313

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.2 secs

     total energy              =     -12.18849540 Ry
     estimated scf accuracy    <       0.00001063 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.2 secs

     total energy              =     -12.18849679 Ry
     estimated scf accuracy    <       0.00000338 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.3 secs

     total energy              =     -12.18849716 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.77E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2144  -4.2066  -3.6217  -3.3007

     highest occupied level (ev):    -3.3007

!    total energy              =     -12.18849723 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01922641   -0.01700206   -0.08624918
     atom    2 type  2   force =     0.01403380    0.00605241    0.01219475
     atom    3 type  2   force =    -0.00353210   -0.02639633    0.01761025
     atom    4 type  2   force =    -0.02485769    0.01060300    0.03827745
     atom    5 type  2   force =    -0.00487042    0.02674298   -0.11909658

     Total force =     0.163149     Total SCF correction =     0.000090

     Entering Dynamics:    iteration =   184
                           time      =   0.0267 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4476111032        9.4356028996        9.5287610705
H            11.3827959033       11.4234534318        9.4491865079
H             9.0874686966        9.4928942072        6.7932524223
H             7.0497765138       10.3045356828       10.3986891939
H            10.3044304975        6.9408509140       10.4999500052


     kinetic energy (Ekin) =           0.01373018 Ry
     temperature           =         361.30409525 K 
     Ekin + Etot (const)   =         -12.17476705 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1240962124

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.3 secs

     total energy              =     -12.18861336 Ry
     estimated scf accuracy    <       0.00001070 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.3 secs

     total energy              =     -12.18861473 Ry
     estimated scf accuracy    <       0.00000336 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.3 secs

     total energy              =     -12.18861513 Ry
     estimated scf accuracy    <       0.00000023 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.92E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2144  -4.2122  -3.6117  -3.3060

     highest occupied level (ev):    -3.3060

!    total energy              =     -12.18861519 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01782108   -0.01536084   -0.08563677
     atom    2 type  2   force =     0.01365915    0.00573768    0.01188680
     atom    3 type  2   force =    -0.00319038   -0.02622068    0.01665134
     atom    4 type  2   force =    -0.02348575    0.01015587    0.04022909
     atom    5 type  2   force =    -0.00480411    0.02568797   -0.13050335

     Total force =     0.170910     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   185
                           time      =   0.0268 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4478704134        9.4355469261        9.5280464751
H            11.3836565373       11.4240655066        9.4458988917
H             9.0817507637        9.4852835029        6.7952347426
H             7.0447959109       10.3086368233       10.3894936348
H            10.3069854132        6.9453204755       10.4987885455


     kinetic energy (Ekin) =           0.01387578 Ry
     temperature           =         365.13550989 K 
     Ekin + Etot (const)   =         -12.17473941 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1774655006

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.4 secs

     total energy              =     -12.18874071 Ry
     estimated scf accuracy    <       0.00001101 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.4 secs

     total energy              =     -12.18874206 Ry
     estimated scf accuracy    <       0.00000340 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.4 secs

     total energy              =     -12.18874250 Ry
     estimated scf accuracy    <       0.00000025 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.16E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2145  -4.2182  -3.6013  -3.3116

     highest occupied level (ev):    -3.3116

!    total energy              =     -12.18874257 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01624925   -0.01343647   -0.08501525
     atom    2 type  2   force =     0.01323898    0.00538199    0.01157299
     atom    3 type  2   force =    -0.00287786   -0.02599836    0.01561575
     atom    4 type  2   force =    -0.02193673    0.00963523    0.04160380
     atom    5 type  2   force =    -0.00467364    0.02441762   -0.13911398

     Total force =     0.176675     Total SCF correction =     0.000113

     Entering Dynamics:    iteration =   186
                           time      =   0.0270 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4481354365        9.4354862286        9.5273019902
H            11.3846478988       11.4247307257        9.4427255523
H             9.0760044135        9.4774160794        6.7973712597
H             7.0395986950       10.3128331061       10.3807088899
H            10.3094941794        6.9500311473       10.4962534132


     kinetic energy (Ekin) =           0.01420306 Ry
     temperature           =         373.74761082 K 
     Ekin + Etot (const)   =         -12.17453951 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2342235490

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.4 secs

     total energy              =     -12.18886945 Ry
     estimated scf accuracy    <       0.00001159 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.45E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.4 secs

     total energy              =     -12.18887079 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.4 secs

     total energy              =     -12.18887129 Ry
     estimated scf accuracy    <       0.00000028 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.53E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2147  -4.2247  -3.5905  -3.3176

     highest occupied level (ev):    -3.3176

!    total energy              =     -12.18887134 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01450152   -0.01124327   -0.08441146
     atom    2 type  2   force =     0.01277323    0.00499638    0.01125212
     atom    3 type  2   force =    -0.00258771   -0.02572615    0.01451070
     atom    4 type  2   force =    -0.02021845    0.00904907    0.04250619
     atom    5 type  2   force =    -0.00446859    0.02292396   -0.14440360

     Total force =     0.179864     Total SCF correction =     0.000147

     Entering Dynamics:    iteration =   187
                           time      =   0.0271 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4484055580        9.4354215782        9.5265278280
H            11.3857653889       11.4254452812        9.4396633213
H             9.0702325111        9.4692946247        6.7996510617
H             7.0342018334       10.3171187435       10.3723438698
H            10.3119588207        6.9549681803       10.4922923766


     kinetic energy (Ekin) =           0.01474281 Ry
     temperature           =         387.95091223 K 
     Ekin + Etot (const)   =         -12.17412853 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2934515630

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.5 secs

     total energy              =     -12.18899080 Ry
     estimated scf accuracy    <       0.00001245 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.5 secs

     total energy              =     -12.18899212 Ry
     estimated scf accuracy    <       0.00000372 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.5 secs

     total energy              =     -12.18899270 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.00E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.5 secs

     total energy              =     -12.18899274 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2151  -4.2318  -3.5792  -3.3240

     highest occupied level (ev):    -3.3240

!    total energy              =     -12.18899275 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01259903   -0.00877623   -0.08381064
     atom    2 type  2   force =     0.01230304    0.00459598    0.01090550
     atom    3 type  2   force =    -0.00233905   -0.02545722    0.01341799
     atom    4 type  2   force =    -0.01839744    0.00840293    0.04298197
     atom    5 type  2   force =    -0.00416558    0.02123453   -0.14606763

     Total force =     0.180126     Total SCF correction =     0.000125

     Entering Dynamics:    iteration =   188
                           time      =   0.0273 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4486801091        9.4353538422        9.5257241998
H            11.3870043645       11.4262052194        9.4367087759
H             9.0644375120        9.4609217943        6.8020633588
H             7.0286233073       10.3214873551       10.3644032725
H            10.3143823292        6.9601148924       10.4868890041


     kinetic energy (Ekin) =           0.01550769 Ry
     temperature           =         408.07845414 K 
     Ekin + Etot (const)   =         -12.17348506 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3540363496

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18909546 Ry
     estimated scf accuracy    <       0.00001233 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.54E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18909690 Ry
     estimated scf accuracy    <       0.00000374 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.67E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18909749 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.05E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18909750 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2157  -4.2393  -3.5678  -3.3305

     highest occupied level (ev):    -3.3305

!    total energy              =     -12.18909752 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01053336   -0.00602533   -0.08326451
     atom    2 type  2   force =     0.01176569    0.00414979    0.01057129
     atom    3 type  2   force =    -0.00210370   -0.02509536    0.01220280
     atom    4 type  2   force =    -0.01639280    0.00769093    0.04321124
     atom    5 type  2   force =    -0.00380256    0.01927997   -0.14392290

     Total force =     0.177273     Total SCF correction =     0.000158

     Entering Dynamics:    iteration =   189
                           time      =   0.0274 pico-seconds


     Velocity rescaling: T ( 408.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4489192153        9.4352936464        9.5250058865
H            11.3881828548       11.4268977752        9.4342799033
H             9.0594480461        9.4534950391        6.8042521835
H             7.0236783509       10.3253089921       10.3580216077
H            10.3164227227        6.9647181162       10.4808349379


     kinetic energy (Ekin) =           0.01218738 Ry
     temperature           =         320.70578299 K 
     Ekin + Etot (const)   =         -12.17691014 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2173262981

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18916755 Ry
     estimated scf accuracy    <       0.00000941 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.18E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18916880 Ry
     estimated scf accuracy    <       0.00000298 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.73E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.6 secs

     total energy              =     -12.18916926 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.59E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2164  -4.2459  -3.5582  -3.3360

     highest occupied level (ev):    -3.3360

!    total energy              =     -12.18916927 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00860109   -0.00341649   -0.08285123
     atom    2 type  2   force =     0.01122495    0.00372942    0.01029369
     atom    3 type  2   force =    -0.00192047   -0.02467752    0.01102756
     atom    4 type  2   force =    -0.01448841    0.00702420    0.04321831
     atom    5 type  2   force =    -0.00341716    0.01734038   -0.14012396

     Total force =     0.173217     Total SCF correction =     0.000195

     Entering Dynamics:    iteration =   190
                           time      =   0.0276 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491613456        9.4352322493        9.5242584445
H            11.3894721853       11.4276271570        9.4319526750
H             9.0544396166        9.4458246072        6.8065498992
H             7.0185903295       10.3291999892       10.3520666996
H            10.3184293737        6.9694925665       10.4733972264


     kinetic energy (Ekin) =           0.01322466 Ry
     temperature           =         348.00155518 K 
     Ekin + Etot (const)   =         -12.17594461 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2772583666

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.7 secs

     total energy              =     -12.18921514 Ry
     estimated scf accuracy    <       0.00001178 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.7 secs

     total energy              =     -12.18921628 Ry
     estimated scf accuracy    <       0.00000360 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.7 secs

     total energy              =     -12.18921691 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.87E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.7 secs

     total energy              =     -12.18921693 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2173  -4.2534  -3.5479  -3.3420

     highest occupied level (ev):    -3.3420

!    total energy              =     -12.18921695 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00656706   -0.00053110   -0.08244335
     atom    2 type  2   force =     0.01073499    0.00330103    0.00998477
     atom    3 type  2   force =    -0.00178248   -0.02432576    0.00995478
     atom    4 type  2   force =    -0.01257496    0.00630614    0.04308346
     atom    5 type  2   force =    -0.00294461    0.01524969   -0.13289113

     Total force =     0.166480     Total SCF correction =     0.000170

     Entering Dynamics:    iteration =   191
                           time      =   0.0277 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4494057846        9.4351706655        9.5234820171
H            11.3908675177       11.4283891345        9.4297240408
H             9.0494135861        9.4379139721        6.8089459128
H             7.0133781376       10.3331532560       10.3465372164
H            10.3204069483        6.9744175990       10.4646472897


     kinetic energy (Ekin) =           0.01442469 Ry
     temperature           =         379.57966640 K 
     Ekin + Etot (const)   =         -12.17479226 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3355234450

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18923070 Ry
     estimated scf accuracy    <       0.00001168 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18923204 Ry
     estimated scf accuracy    <       0.00000366 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18923264 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.71E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18923265 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.62E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2184  -4.2610  -3.5380  -3.3477

     highest occupied level (ev):    -3.3477

!    total energy              =     -12.18923267 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00440128    0.00258957   -0.08209150
     atom    2 type  2   force =     0.01016951    0.00283958    0.00968377
     atom    3 type  2   force =    -0.00166579   -0.02387060    0.00875855
     atom    4 type  2   force =    -0.01050859    0.00554104    0.04292812
     atom    5 type  2   force =    -0.00239642    0.01290042   -0.12245731

     Total force =     0.157390     Total SCF correction =     0.000187

     Entering Dynamics:    iteration =   192
                           time      =   0.0279 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496517711        9.4351099922        9.5226767282
H            11.3923632683       11.4291791513        9.4275910284
H             9.0443711069        9.4297676282        6.8114284121
H             7.0080621792       10.3371612373       10.3414316243
H            10.3223608596        6.9794700158       10.4546881557


     kinetic energy (Ekin) =           0.01572997 Ry
     temperature           =         413.92774334 K 
     Ekin + Etot (const)   =         -12.17350269 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3909277894

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18920721 Ry
     estimated scf accuracy    <       0.00001292 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18920862 Ry
     estimated scf accuracy    <       0.00000403 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.03E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18920928 Ry
     estimated scf accuracy    <       0.00000042 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.25E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.8 secs

     total energy              =     -12.18920930 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2197  -4.2689  -3.5284  -3.3531

     highest occupied level (ev):    -3.3531

!    total energy              =     -12.18920933 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00212906    0.00593516   -0.08177718
     atom    2 type  2   force =     0.00956974    0.00235588    0.00937721
     atom    3 type  2   force =    -0.00157791   -0.02336925    0.00751940
     atom    4 type  2   force =    -0.00834910    0.00473349    0.04273715
     atom    5 type  2   force =    -0.00177179    0.01034472   -0.10941080

     Total force =     0.146687     Total SCF correction =     0.000176

     Entering Dynamics:    iteration =   193
                           time      =   0.0280 pico-seconds


     Velocity rescaling: T ( 413.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4498619355        9.4350604258        9.5219624097
H            11.3937311427       11.4298749799        9.4258677238
H             9.0400627080        9.4226016363        6.8136160901
H             7.0034540973       10.3406200959       10.3375070817
H            10.3240067891        6.9838734424       10.4451292677


     kinetic energy (Ekin) =           0.01245754 Ry
     temperature           =         327.81488159 K 
     Ekin + Etot (const)   =         -12.17675179 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2316609021

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        8.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        8.9 secs

     total energy              =     -12.18915344 Ry
     estimated scf accuracy    <       0.00001047 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.9 secs

     total energy              =     -12.18915453 Ry
     estimated scf accuracy    <       0.00000324 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.05E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.9 secs

     total energy              =     -12.18915506 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.26E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        8.9 secs

     total energy              =     -12.18915508 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        8.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2209  -4.2757  -3.5206  -3.3575

     highest occupied level (ev):    -3.3575

!    total energy              =     -12.18915510 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00010370    0.00897863   -0.08153550
     atom    2 type  2   force =     0.00902877    0.00192476    0.00911038
     atom    3 type  2   force =    -0.00153099   -0.02289835    0.00642485
     atom    4 type  2   force =    -0.00643034    0.00400922    0.04250913
     atom    5 type  2   force =    -0.00117114    0.00798574   -0.09785626

     Total force =     0.137733     Total SCF correction =     0.000141

     Entering Dynamics:    iteration =   194
                           time      =   0.0282 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500721363        9.4350140161        9.5212194252
H            11.3951881711       11.4305898144        9.4242343791
H             9.0357391915        9.4152095361        6.8158672100
H             6.9987825194       10.3441185433       10.3340022927
H            10.3256411542        6.9883557236       10.4346041041


     kinetic energy (Ekin) =           0.01360904 Ry
     temperature           =         358.11635455 K 
     Ekin + Etot (const)   =         -12.17554606 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2790799590

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18906342 Ry
     estimated scf accuracy    <       0.00001173 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18906455 Ry
     estimated scf accuracy    <       0.00000361 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.51E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18906515 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.77E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18906518 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2222  -4.2826  -3.5133  -3.3614

     highest occupied level (ev):    -3.3614

!    total energy              =     -12.18906520 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00200155    0.01219970   -0.08130996
     atom    2 type  2   force =     0.00846242    0.00147582    0.00883526
     atom    3 type  2   force =    -0.00150881   -0.02239052    0.00530074
     atom    4 type  2   force =    -0.00444457    0.00325001    0.04220497
     atom    5 type  2   force =    -0.00050750    0.00546499   -0.08461138

     Total force =     0.128252     Total SCF correction =     0.000128

     Entering Dynamics:    iteration =   195
                           time      =   0.0283 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4502816334        9.4349718956        9.5204478538
H            11.3967287612       11.4313192219        9.4226882776
H             9.0314007763        9.4075963421        6.8181706716
H             6.9940670539       10.3476490828       10.3309142542
H            10.3272705080        6.9928919686       10.4232434507


     kinetic energy (Ekin) =           0.01473083 Ry
     temperature           =         387.63559625 K 
     Ekin + Etot (const)   =         -12.17433438 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3223789178

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18893450 Ry
     estimated scf accuracy    <       0.00001290 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18893568 Ry
     estimated scf accuracy    <       0.00000395 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18893633 Ry
     estimated scf accuracy    <       0.00000042 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.21E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.0 secs

     total energy              =     -12.18893638 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2237  -4.2896  -3.5068  -3.3647

     highest occupied level (ev):    -3.3647

!    total energy              =     -12.18893641 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00417124    0.01557260   -0.08109400
     atom    2 type  2   force =     0.00787155    0.00101149    0.00855179
     atom    3 type  2   force =    -0.00151174   -0.02184705    0.00415019
     atom    4 type  2   force =    -0.00240285    0.00246186    0.04178931
     atom    5 type  2   force =     0.00021429    0.00280109   -0.07026482

     Total force =     0.119047     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =   196
                           time      =   0.0284 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4504896641        9.4349352500        9.5196477714
H            11.3983470784       11.4320586172        9.4212266203
H             9.0270474336        9.3997674207        6.8205151139
H             6.9893278616       10.3512039317       10.3282388616
H            10.3289019778        6.9974558728       10.4111889716


     kinetic energy (Ekin) =           0.01577003 Ry
     temperature           =         414.98176023 K 
     Ekin + Etot (const)   =         -12.17316638 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3610879008

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.1 secs

     total energy              =     -12.18876477 Ry
     estimated scf accuracy    <       0.00001395 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.74E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.1 secs

     total energy              =     -12.18876600 Ry
     estimated scf accuracy    <       0.00000425 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.1 secs

     total energy              =     -12.18876670 Ry
     estimated scf accuracy    <       0.00000045 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.58E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.1 secs

     total energy              =     -12.18876676 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2252  -4.2965  -3.5015  -3.3669

     highest occupied level (ev):    -3.3669

!    total energy              =     -12.18876678 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00639030    0.01907077   -0.08087907
     atom    2 type  2   force =     0.00725804    0.00053387    0.00825913
     atom    3 type  2   force =    -0.00153878   -0.02127146    0.00297875
     atom    4 type  2   force =    -0.00031685    0.00164974    0.04121601
     atom    5 type  2   force =     0.00098788    0.00001707   -0.05540788

     Total force =     0.110921     Total SCF correction =     0.000109

     Entering Dynamics:    iteration =   197
                           time      =   0.0286 pico-seconds


     Velocity rescaling: T ( 415.0K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4506642952        9.4349107970        9.5189390669
H            11.3997947201       11.4326925591        9.4200654019
H             9.0233308138        9.3929008445        6.8225378871
H             6.9852952394       10.3542427286       10.3263710967
H            10.3302988881        7.0013364963       10.4003925413


     kinetic energy (Ekin) =           0.01211367 Ry
     temperature           =         318.76615477 K 
     Ekin + Etot (const)   =         -12.17665311 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1884250965

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.2 secs

     total energy              =     -12.18859057 Ry
     estimated scf accuracy    <       0.00001080 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.2 secs

     total energy              =     -12.18859149 Ry
     estimated scf accuracy    <       0.00000329 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.11E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.2 secs

     total energy              =     -12.18859203 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.27E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2265  -4.3017  -3.4983  -3.3679

     highest occupied level (ev):    -3.3679

!    total energy              =     -12.18859208 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00832551    0.02213841   -0.08069914
     atom    2 type  2   force =     0.00668150    0.00011024    0.00800175
     atom    3 type  2   force =    -0.00158676   -0.02070231    0.00190877
     atom    4 type  2   force =     0.00154410    0.00093569    0.04037371
     atom    5 type  2   force =     0.00168668   -0.00248202   -0.04379698

     Total force =     0.105715     Total SCF correction =     0.000164

     Entering Dynamics:    iteration =   198
                           time      =   0.0287 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4508359993        9.4348941275        9.5182019902
H            11.4013083378       11.4333275894        9.4189831963
H             9.0195985256        9.3858298446        6.8245795084
H             6.9812778643       10.3572907650       10.3249019994
H            10.3317124534        7.0051926112       10.3891636405


     kinetic energy (Ekin) =           0.01278118 Ry
     temperature           =         336.33140953 K 
     Ekin + Etot (const)   =         -12.17581090 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2180585253

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.2 secs

     total energy              =     -12.18838878 Ry
     estimated scf accuracy    <       0.00001242 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.55E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.2 secs

     total energy              =     -12.18838962 Ry
     estimated scf accuracy    <       0.00000369 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.2 secs

     total energy              =     -12.18839025 Ry
     estimated scf accuracy    <       0.00000039 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.93E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2278  -4.3073  -3.4960  -3.3679

     highest occupied level (ev):    -3.3679

!    total energy              =     -12.18839034 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01027203    0.02526765   -0.08048522
     atom    2 type  2   force =     0.00612562   -0.00031654    0.00773044
     atom    3 type  2   force =    -0.00164857   -0.02016237    0.00089028
     atom    4 type  2   force =     0.00337904    0.00020788    0.03919720
     atom    5 type  2   force =     0.00241593   -0.00499663   -0.03222222

     Total force =     0.101716     Total SCF correction =     0.000145

     Entering Dynamics:    iteration =   199
                           time      =   0.0289 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4510040919        9.4348863415        9.5174366167
H            11.4028824425       11.4339594941        9.4179773244
H             9.0158499587        9.3785597526        6.8266299207
H             6.9772938554       10.3603408541       10.3238199525
H            10.3331498747        7.0089993872       10.3776165633


     kinetic energy (Ekin) =           0.01334056 Ry
     temperature           =         351.05142438 K 
     Ekin + Etot (const)   =         -12.17504978 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2441400369

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.3 secs

     total energy              =     -12.18816106 Ry
     estimated scf accuracy    <       0.00001276 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.3 secs

     total energy              =     -12.18816195 Ry
     estimated scf accuracy    <       0.00000379 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.74E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.3 secs

     total energy              =     -12.18816258 Ry
     estimated scf accuracy    <       0.00000040 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2291  -4.3125  -3.4951  -3.3666

     highest occupied level (ev):    -3.3666

!    total energy              =     -12.18816268 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01221810    0.02842481   -0.08025035
     atom    2 type  2   force =     0.00554761   -0.00075077    0.00745071
     atom    3 type  2   force =    -0.00172454   -0.01959319   -0.00013624
     atom    4 type  2   force =     0.00522946   -0.00053218    0.03761261
     atom    5 type  2   force =     0.00316557   -0.00754867   -0.02095028

     Total force =     0.099093     Total SCF correction =     0.000138

     Entering Dynamics:    iteration =   200
                           time      =   0.0290 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4511678889        9.4348885490        9.5166430288
H            11.4045113268       11.4345839854        9.4170450242
H             9.0120843630        9.3710961889        6.8286789877
H             6.9733614844       10.3633856882       10.3231093090
H            10.3346185542        7.0127316244       10.3658626138


     kinetic energy (Ekin) =           0.01377987 Ry
     temperature           =         362.61153316 K 
     Ekin + Etot (const)   =         -12.17438281 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2668581133

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.4 secs

     total energy              =     -12.18790943 Ry
     estimated scf accuracy    <       0.00001303 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.4 secs

     total energy              =     -12.18791034 Ry
     estimated scf accuracy    <       0.00000388 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.85E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.4 secs

     total energy              =     -12.18791099 Ry
     estimated scf accuracy    <       0.00000040 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.06E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2304  -4.3173  -3.4956  -3.3641

     highest occupied level (ev):    -3.3641

!    total energy              =     -12.18791109 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01413938    0.03157258   -0.07997811
     atom    2 type  2   force =     0.00495450   -0.00118841    0.00715698
     atom    3 type  2   force =    -0.00182559   -0.01900807   -0.00116225
     atom    4 type  2   force =     0.00708226   -0.00127453    0.03553333
     atom    5 type  2   force =     0.00392821   -0.01010156   -0.01026919

     Total force =     0.097846     Total SCF correction =     0.000132

     Entering Dynamics:    iteration =   201
                           time      =   0.0292 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513267148        9.4349018568        9.5158213224
H            11.4061891340       11.4351967418        9.4161833951
H             9.0083007407        9.3634449312        6.8307165782
H             6.9694990467       10.3664179370       10.3227495371
H            10.3361260226        7.0163641143       10.3540072619


     kinetic energy (Ekin) =           0.01409416 Ry
     temperature           =         370.88201211 K 
     Ekin + Etot (const)   =         -12.17381693 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2865442632

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.4 secs

     total energy              =     -12.18763661 Ry
     estimated scf accuracy    <       0.00001310 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.4 secs

     total energy              =     -12.18763754 Ry
     estimated scf accuracy    <       0.00000392 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.90E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.4 secs

     total energy              =     -12.18763818 Ry
     estimated scf accuracy    <       0.00000041 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.07E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2317  -4.3218  -3.4975  -3.3604

     highest occupied level (ev):    -3.3604

!    total energy              =     -12.18763829 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01605599    0.03471615   -0.07967516
     atom    2 type  2   force =     0.00435428   -0.00163223    0.00685144
     atom    3 type  2   force =    -0.00193747   -0.01841085   -0.00218383
     atom    4 type  2   force =     0.00893639   -0.00202157    0.03287860
     atom    5 type  2   force =     0.00470278   -0.01265150   -0.00038999

     Total force =     0.097849     Total SCF correction =     0.000129

     Entering Dynamics:    iteration =   202
                           time      =   0.0293 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514798958        9.4349273700        9.5149716039
H            11.4079099373       11.4357933808        9.4153894201
H             9.0044979869        9.3556118767        6.8327326045
H             6.9657248509       10.3694302240       10.3227144230
H            10.3376799283        7.0198716777       10.3421480590


     kinetic energy (Ekin) =           0.01428544 Ry
     temperature           =         375.91533415 K 
     Ekin + Etot (const)   =         -12.17335285 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3036514216

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.5 secs

     total energy              =     -12.18734592 Ry
     estimated scf accuracy    <       0.00001312 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.5 secs

     total energy              =     -12.18734686 Ry
     estimated scf accuracy    <       0.00000393 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.91E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.5 secs

     total energy              =     -12.18734750 Ry
     estimated scf accuracy    <       0.00000040 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.03E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2328  -4.3258  -3.5007  -3.3555

     highest occupied level (ev):    -3.3555

!    total energy              =     -12.18734760 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01793556    0.03780864   -0.07933435
     atom    2 type  2   force =     0.00374466   -0.00207798    0.00653375
     atom    3 type  2   force =    -0.00206109   -0.01780211   -0.00319469
     atom    4 type  2   force =     0.01077580   -0.00276623    0.02957026
     atom    5 type  2   force =     0.00547619   -0.01516232    0.00852850

     Total force =     0.098835     Total SCF correction =     0.000126

     Entering Dynamics:    iteration =   203
                           time      =   0.0295 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4516267710        9.4349661760        9.5140939931
H            11.4096677170       11.4363695010        9.4146599623
H             9.0006748810        9.3476030363        6.8347170851
H             6.9620570601       10.3724151960       10.3229712986
H            10.3392879083        7.0232295217       10.3303730702


     kinetic energy (Ekin) =           0.01436120 Ry
     temperature           =         377.90897569 K 
     Ekin + Etot (const)   =         -12.17298641 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3187293228

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18704096 Ry
     estimated scf accuracy    <       0.00001248 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18704203 Ry
     estimated scf accuracy    <       0.00000397 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.96E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18704271 Ry
     estimated scf accuracy    <       0.00000048 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.94E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18704276 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2339  -4.3299  -3.5049  -3.3495

     highest occupied level (ev):    -3.3495

!    total energy              =     -12.18704277 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01975090    0.04081433   -0.07893957
     atom    2 type  2   force =     0.00316640   -0.00251860    0.00620192
     atom    3 type  2   force =    -0.00219413   -0.01724598   -0.00413626
     atom    4 type  2   force =     0.01253886   -0.00349261    0.02555758
     atom    5 type  2   force =     0.00623977   -0.01755714    0.01631097

     Total force =     0.100486     Total SCF correction =     0.000210

     Entering Dynamics:    iteration =   204
                           time      =   0.0296 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4517667022        9.4350193314        9.5131886288
H            11.4114567631       11.4369207513        9.4139917449
H             8.9968301093        9.3394239015        6.8366607224
H             6.9585130834       10.3753656804       10.3234805409
H            10.3409575025        7.0264139989       10.3187591431


     kinetic energy (Ekin) =           0.01433406 Ry
     temperature           =         377.19495311 K 
     Ekin + Etot (const)   =         -12.17270871 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3323984263

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18672594 Ry
     estimated scf accuracy    <       0.00001128 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18672714 Ry
     estimated scf accuracy    <       0.00000366 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.6 secs

     total energy              =     -12.18672773 Ry
     estimated scf accuracy    <       0.00000041 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.07E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2347  -4.3323  -3.5104  -3.3431

     highest occupied level (ev):    -3.3431

!    total energy              =     -12.18672777 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02154565    0.04374780   -0.07852813
     atom    2 type  2   force =     0.00250606   -0.00297331    0.00586185
     atom    3 type  2   force =    -0.00233938   -0.01656100   -0.00517344
     atom    4 type  2   force =     0.01439022   -0.00423217    0.02072424
     atom    5 type  2   force =     0.00698874   -0.01998132    0.02318720

     Total force =     0.102669     Total SCF correction =     0.000191

     Entering Dynamics:    iteration =   205
                           time      =   0.0298 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4518990584        9.4350878676        9.5122556557
H            11.4132705552       11.4374426419        9.4133814100
H             8.9929622376        9.3310812361        6.8385532750
H             6.9551112021       10.3782743746       10.3241944235
H            10.3426961066        7.0294011717       10.3073741766


     kinetic energy (Ekin) =           0.01421698 Ry
     temperature           =         374.11389859 K 
     Ekin + Etot (const)   =         -12.17251079 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3453234831

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.7 secs

     total energy              =     -12.18640500 Ry
     estimated scf accuracy    <       0.00001248 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.7 secs

     total energy              =     -12.18640598 Ry
     estimated scf accuracy    <       0.00000395 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.94E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.7 secs

     total energy              =     -12.18640668 Ry
     estimated scf accuracy    <       0.00000048 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.95E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.7 secs

     total energy              =     -12.18640674 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2356  -4.3355  -3.5164  -3.3355

     highest occupied level (ev):    -3.3355

!    total energy              =     -12.18640674 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02319206    0.04649269   -0.07806428
     atom    2 type  2   force =     0.00192057   -0.00340107    0.00550404
     atom    3 type  2   force =    -0.00247706   -0.01600146   -0.00605893
     atom    4 type  2   force =     0.01604701   -0.00492848    0.01513467
     atom    5 type  2   force =     0.00770154   -0.02216167    0.02880272

     Total force =     0.105018     Total SCF correction =     0.000227

     Entering Dynamics:    iteration =   206
                           time      =   0.0299 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4520232608        9.4351727497        9.5112952369
H            11.4151033118       11.4379309489        9.4128254245
H             8.9890699063        9.3225805653        6.8403859990
H             6.9518677761       10.3811344028       10.3250577523
H            10.3445107592        7.0321695105       10.2962736207


     kinetic energy (Ekin) =           0.01402544 Ry
     temperature           =         369.07366876 K 
     Ekin + Etot (const)   =         -12.17238130 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3581878716

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.8 secs

     total energy              =     -12.18608187 Ry
     estimated scf accuracy    <       0.00001055 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.32E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.8 secs

     total energy              =     -12.18608307 Ry
     estimated scf accuracy    <       0.00000345 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.8 secs

     total energy              =     -12.18608362 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.71E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2361  -4.3368  -3.5234  -3.3279

     highest occupied level (ev):    -3.3279

!    total energy              =     -12.18608366 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02480943    0.04913164   -0.07758091
     atom    2 type  2   force =     0.00125517   -0.00384784    0.00513973
     atom    3 type  2   force =    -0.00262571   -0.01531387   -0.00703332
     atom    4 type  2   force =     0.01779316   -0.00563221    0.00867390
     atom    5 type  2   force =     0.00838681   -0.02433772    0.03358401

     Total force =     0.107685     Total SCF correction =     0.000181

     Entering Dynamics:    iteration =   207
                           time      =   0.0300 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4521387407        9.4352749053        9.5103075423
H            11.4169484625       11.4383812606        9.4123201908
H             8.9851516476        9.3139286785        6.8421492729
H             6.9488000474       10.3839388161       10.3260067311
H            10.3464082268        7.0346975279       10.2855046881


     kinetic energy (Ekin) =           0.01377514 Ry
     temperature           =         362.48710904 K 
     Ekin + Etot (const)   =         -12.17230852 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3716688176

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.8 secs

     total energy              =     -12.18576071 Ry
     estimated scf accuracy    <       0.00001154 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.8 secs

     total energy              =     -12.18576169 Ry
     estimated scf accuracy    <       0.00000368 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.8 secs

     total energy              =     -12.18576234 Ry
     estimated scf accuracy    <       0.00000044 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.49E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is        9.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2365  -4.3382  -3.5307  -3.3197

     highest occupied level (ev):    -3.3197

!    total energy              =     -12.18576239 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02629012    0.05156448   -0.07706252
     atom    2 type  2   force =     0.00063194   -0.00427523    0.00476002
     atom    3 type  2   force =    -0.00276618   -0.01469156   -0.00791301
     atom    4 type  2   force =     0.01939873   -0.00629816    0.00145731
     atom    5 type  2   force =     0.00902563   -0.02629953    0.03733556

     Total force =     0.110460     Total SCF correction =     0.000188

     Entering Dynamics:    iteration =   208
                           time      =   0.0302 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4522449776        9.4353951900        9.5092927542
H            11.4187998533       11.4387893568        9.4118619597
H             8.9812060744        9.3051317209        6.8438344103
H             6.9459238704       10.3866810385       10.3269701000
H            10.3483948173        7.0369658523       10.2751044231


     kinetic energy (Ekin) =           0.01348044 Ry
     temperature           =         354.73230586 K 
     Ekin + Etot (const)   =         -12.17228194 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3864136727

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is        9.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is        9.9 secs

     total energy              =     -12.18544400 Ry
     estimated scf accuracy    <       0.00001168 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.9 secs

     total energy              =     -12.18544574 Ry
     estimated scf accuracy    <       0.00000357 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.46E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.9 secs

     total energy              =     -12.18544639 Ry
     estimated scf accuracy    <       0.00000024 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.02E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is        9.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2369  -4.3392  -3.5385  -3.3110

     highest occupied level (ev):    -3.3110

!    total energy              =     -12.18544647 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02762309    0.05376343   -0.07652428
     atom    2 type  2   force =     0.00001488   -0.00468789    0.00437146
     atom    3 type  2   force =    -0.00290190   -0.01407605   -0.00874137
     atom    4 type  2   force =     0.02090601   -0.00693259   -0.00646373
     atom    5 type  2   force =     0.00960409   -0.02806690    0.04022654

     Total force =     0.113396     Total SCF correction =     0.000120

     Entering Dynamics:    iteration =   209
                           time      =   0.0303 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4523415028        9.4355343767        9.5082510617
H            11.4206513911       11.4391511627        9.4114468943
H             8.9772318466        9.2961957701        6.8454332316
H             6.9432541285       10.3893548055       10.3278696432
H            10.3504762429        7.0389570318       10.2651013727


     kinetic energy (Ekin) =           0.01315775 Ry
     temperature           =         346.24075729 K 
     Ekin + Etot (const)   =         -12.17228872 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4030175502

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18513729 Ry
     estimated scf accuracy    <       0.00001001 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.25E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18513832 Ry
     estimated scf accuracy    <       0.00000324 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.05E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18513887 Ry
     estimated scf accuracy    <       0.00000038 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.75E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2370  -4.3396  -3.5466  -3.3022

     highest occupied level (ev):    -3.3022

!    total energy              =     -12.18513891 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02886270    0.05577889   -0.07597315
     atom    2 type  2   force =    -0.00060297   -0.00509994    0.00397059
     atom    3 type  2   force =    -0.00302442   -0.01346983   -0.00953823
     atom    4 type  2   force =     0.02235202   -0.00753459   -0.01499653
     atom    5 type  2   force =     0.01013807   -0.02967452    0.04241710

     Total force =     0.116635     Total SCF correction =     0.000182

     Entering Dynamics:    iteration =   210
                           time      =   0.0305 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4524278805        9.4356931741        9.5071826587
H            11.4224969748       11.4394626097        9.4110710363
H             8.9732277544        9.2871268124        6.8469378682
H             6.9408051002       10.3919541727       10.3286211041
H            10.3526577762        7.0406551921       10.2555171672


     kinetic energy (Ekin) =           0.01282192 Ry
     temperature           =         337.40347330 K 
     Ekin + Etot (const)   =         -12.17231699 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4220022262

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18484100 Ry
     estimated scf accuracy    <       0.00001052 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18484176 Ry
     estimated scf accuracy    <       0.00000314 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18484237 Ry
     estimated scf accuracy    <       0.00000034 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.29E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.0 secs

     total energy              =     -12.18484238 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2371  -4.3402  -3.5547  -3.2929

     highest occupied level (ev):    -3.2929

!    total energy              =     -12.18484240 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02992010    0.05752230   -0.07541653
     atom    2 type  2   force =    -0.00116071   -0.00547821    0.00355888
     atom    3 type  2   force =    -0.00313442   -0.01294565   -0.01022620
     atom    4 type  2   force =     0.02361694   -0.00808802   -0.02393238
     atom    5 type  2   force =     0.01059829   -0.03101042    0.04389906

     Total force =     0.120061     Total SCF correction =     0.000205

     Entering Dynamics:    iteration =   211
                           time      =   0.0306 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4525037389        9.4358721951        9.5060877409
H            11.4243310971       11.4397199624        9.4107303202
H             8.9691927115        9.2779300236        6.8483415268
H             6.9385892759       10.3944736751       10.3291362461
H            10.3549439617        7.0420471418       10.2463664404


     kinetic energy (Ekin) =           0.01248883 Ry
     temperature           =         328.63832322 K 
     Ekin + Etot (const)   =         -12.17235357 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4437967383

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       10.1 secs

     total energy              =     -12.18455730 Ry
     estimated scf accuracy    <       0.00000807 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.1 secs

     total energy              =     -12.18455849 Ry
     estimated scf accuracy    <       0.00000273 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.41E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.1 secs

     total energy              =     -12.18455883 Ry
     estimated scf accuracy    <       0.00000026 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.27E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2369  -4.3392  -3.5635  -3.2838

     highest occupied level (ev):    -3.2838

!    total energy              =     -12.18455890 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03083573    0.05899977   -0.07489398
     atom    2 type  2   force =    -0.00179974   -0.00587184    0.00314711
     atom    3 type  2   force =    -0.00322968   -0.01229185   -0.01095215
     atom    4 type  2   force =     0.02487998   -0.00861663   -0.03313420
     atom    5 type  2   force =     0.01098516   -0.03221944    0.04502546

     Total force =     0.123884     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   212
                           time      =   0.0308 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4525687561        9.4360719592        9.5049664919
H            11.4261474481       11.4399193339        9.4104206801
H             8.9651257773        9.2686118598        6.8496370390
H             6.9366191275       10.3969080931       10.3293242066
H            10.3573386195        7.0431209427       10.2376603147


     kinetic energy (Ekin) =           0.01217326 Ry
     temperature           =         320.33419485 K 
     Ekin + Etot (const)   =         -12.17238564 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4687201612

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18428864 Ry
     estimated scf accuracy    <       0.00000891 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.11E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18428944 Ry
     estimated scf accuracy    <       0.00000268 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18428994 Ry
     estimated scf accuracy    <       0.00000028 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.44E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18428995 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2366  -4.3389  -3.5719  -3.2741

     highest occupied level (ev):    -3.2741

!    total energy              =     -12.18428996 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03159682    0.06022391   -0.07434562
     atom    2 type  2   force =    -0.00233760   -0.00622107    0.00271761
     atom    3 type  2   force =    -0.00330106   -0.01178608   -0.01154383
     atom    4 type  2   force =     0.02593082   -0.00908391   -0.04229500
     atom    5 type  2   force =     0.01130466   -0.03313284    0.04567870

     Total force =     0.127840     Total SCF correction =     0.000205

     Entering Dynamics:    iteration =   213
                           time      =   0.0309 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4526226646        9.4362928967        9.5038191046
H            11.4279407166       11.4400572758        9.4101378749
H             8.9610262470        9.2591773150        6.8508185624
H             6.9349050313       10.3992528126       10.3290945277
H            10.3598449045        7.0438675753       10.2294052405


     kinetic energy (Ekin) =           0.01189099 Ry
     temperature           =         312.90647784 K 
     Ekin + Etot (const)   =         -12.17239897 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4969568905

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18403515 Ry
     estimated scf accuracy    <       0.00000861 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18403608 Ry
     estimated scf accuracy    <       0.00000222 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.2 secs

     total energy              =     -12.18403646 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.78E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2361  -4.3375  -3.5808  -3.2645

     highest occupied level (ev):    -3.2645

!    total energy              =     -12.18403651 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03217632    0.06114766   -0.07385574
     atom    2 type  2   force =    -0.00292602   -0.00658055    0.00228477
     atom    3 type  2   force =    -0.00334319   -0.01118853   -0.01213383
     atom    4 type  2   force =     0.02691124   -0.00951650   -0.05117220
     atom    5 type  2   force =     0.01153428   -0.03386208    0.04633920

     Total force =     0.132023     Total SCF correction =     0.000168

     Entering Dynamics:    iteration =   214
                           time      =   0.0311 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4526652605        9.4365353324        9.5026457513
H            11.4297050923       11.4401302384        9.4098776304
H             8.9568937046        9.2496322897        6.8518802711
H             6.9334566685       10.4015035621       10.3283595521
H            10.3624650841        7.0442798389       10.2216077399


     kinetic energy (Ekin) =           0.01165809 Ry
     temperature           =         306.77787979 K 
     Ekin + Etot (const)   =         -12.17237842 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.5285180043

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.14E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.3 secs

     total energy              =     -12.18379774 Ry
     estimated scf accuracy    <       0.00000813 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.3 secs

     total energy              =     -12.18379867 Ry
     estimated scf accuracy    <       0.00000211 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.3 secs

     total energy              =     -12.18379902 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.77E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2356  -4.3359  -3.5896  -3.2547

     highest occupied level (ev):    -3.2547

!    total energy              =     -12.18379908 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03258326    0.06177093   -0.07340174
     atom    2 type  2   force =    -0.00348534   -0.00691463    0.00184977
     atom    3 type  2   force =    -0.00336004   -0.01063633   -0.01264740
     atom    4 type  2   force =     0.02774345   -0.00988535   -0.05944894
     atom    5 type  2   force =     0.01168520   -0.03433461    0.04690229

     Total force =     0.136124     Total SCF correction =     0.000109

     Entering Dynamics:    iteration =   215
                           time      =   0.0312 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4526964009        9.4367994854        9.5014465914
H            11.4314350522       11.4401349230        9.4096356514
H             8.9527279838        9.2399822367        6.8528170938
H             6.9322822567       10.4036566992       10.3270375515
H            10.3652006484        7.0443530675       10.2142733731


     kinetic energy (Ekin) =           0.01148956 Ry
     temperature           =         302.34309667 K 
     Ekin + Etot (const)   =         -12.17230952 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.5632587198

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.4 secs

     total energy              =     -12.18357641 Ry
     estimated scf accuracy    <       0.00000789 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.87E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.4 secs

     total energy              =     -12.18357732 Ry
     estimated scf accuracy    <       0.00000206 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.4 secs

     total energy              =     -12.18357766 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2349  -4.3342  -3.5985  -3.2448

     highest occupied level (ev):    -3.2448

!    total energy              =     -12.18357772 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03279900    0.06209362   -0.07300235
     atom    2 type  2   force =    -0.00402168   -0.00722693    0.00141080
     atom    3 type  2   force =    -0.00334633   -0.01010801   -0.01308924
     atom    4 type  2   force =     0.02841786   -0.01019780   -0.06682334
     atom    5 type  2   force =     0.01174915   -0.03456088    0.04738752

     Total force =     0.139896     Total SCF correction =     0.000099

     Entering Dynamics:    iteration =   216
                           time      =   0.0313 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4527160098        9.4370854693        9.5002217654
H            11.4331253004       11.4400682456        9.4094076033
H             8.9485292198        9.2302323728        6.8536246676
H             6.9313884552       10.4057091388       10.3250557081
H            10.3680522289        7.0440850268       10.2074069314


     kinetic energy (Ekin) =           0.01140168 Ry
     temperature           =         300.03047196 K 
     Ekin + Etot (const)   =         -12.17217604 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6009204637

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.4 secs

     total energy              =     -12.18337075 Ry
     estimated scf accuracy    <       0.00000766 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.57E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.4 secs

     total energy              =     -12.18337167 Ry
     estimated scf accuracy    <       0.00000197 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.5 secs

     total energy              =     -12.18337199 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2341  -4.3323  -3.6072  -3.2346

     highest occupied level (ev):    -3.2346

!    total energy              =     -12.18337203 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03281852    0.06210628   -0.07266795
     atom    2 type  2   force =    -0.00453346   -0.00751510    0.00097092
     atom    3 type  2   force =    -0.00329986   -0.00960320   -0.01345747
     atom    4 type  2   force =     0.02892850   -0.01044914   -0.07300895
     atom    5 type  2   force =     0.01172333   -0.03453884    0.04779642

     Total force =     0.143067     Total SCF correction =     0.000116

     Entering Dynamics:    iteration =   217
                           time      =   0.0315 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4527240805        9.4373932884        9.4989713910
H            11.4347707831       11.4399273609        9.4091891425
H             8.9442978715        9.2203876826        6.8542993565
H             6.9307803065       10.4076583989       10.3223529423
H            10.3710195707        7.0434759345       10.2010124524


     kinetic energy (Ekin) =           0.01140917 Ry
     temperature           =         300.22756135 K 
     Ekin + Etot (const)   =         -12.17196287 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6411361457

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.5 secs

     total energy              =     -12.18317993 Ry
     estimated scf accuracy    <       0.00000731 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.13E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.5 secs

     total energy              =     -12.18318087 Ry
     estimated scf accuracy    <       0.00000192 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.5 secs

     total energy              =     -12.18318116 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2332  -4.3303  -3.6160  -3.2243

     highest occupied level (ev):    -3.2243

!    total energy              =     -12.18318121 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03265122    0.06180713   -0.07240282
     atom    2 type  2   force =    -0.00502727   -0.00778549    0.00052821
     atom    3 type  2   force =    -0.00321468   -0.00911302   -0.01376162
     atom    4 type  2   force =     0.02928561   -0.01063680   -0.07775267
     atom    5 type  2   force =     0.01160756   -0.03427182    0.04814236

     Total force =     0.145398     Total SCF correction =     0.000107

     Entering Dynamics:    iteration =   218
                           time      =   0.0316 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4527206717        9.4377228375        9.4976955612
H            11.4363666245       11.4397095988        9.4089758975
H             8.9400347802        9.2104530064        6.8548381572
H             6.9304613367       10.4095026267       10.3188824125
H            10.3741015307        7.0425284271       10.1950933522


     kinetic energy (Ekin) =           0.01152370 Ry
     temperature           =         303.24134529 K 
     Ekin + Etot (const)   =         -12.17165751 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6834386882

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.6 secs

     total energy              =     -12.18300274 Ry
     estimated scf accuracy    <       0.00000719 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.99E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.6 secs

     total energy              =     -12.18300370 Ry
     estimated scf accuracy    <       0.00000192 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.6 secs

     total energy              =     -12.18300398 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2323  -4.3281  -3.6246  -3.2138

     highest occupied level (ev):    -3.2138

!    total energy              =     -12.18300402 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03228975    0.06119580   -0.07221728
     atom    2 type  2   force =    -0.00549826   -0.00803400    0.00008480
     atom    3 type  2   force =    -0.00309026   -0.00864155   -0.01399535
     atom    4 type  2   force =     0.02947739   -0.01075879   -0.08084838
     atom    5 type  2   force =     0.01140087   -0.03376147    0.04842241

     Total force =     0.146675     Total SCF correction =     0.000098

     Entering Dynamics:    iteration =   219
                           time      =   0.0318 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4527059105        9.4380739018        9.4963943415
H            11.4379081736       11.4394125055        9.4087634898
H             8.9357411742        9.2004329999        6.8552387616
H             6.9304334396       10.4112406175       10.3146135503
H            10.3772960679        7.0412475442       10.1896523961


     kinetic energy (Ekin) =           0.01175237 Ry
     temperature           =         309.25866322 K 
     Ekin + Etot (const)   =         -12.17125166 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.7272762519

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.7 secs

     total energy              =     -12.18283764 Ry
     estimated scf accuracy    <       0.00000711 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.88E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.7 secs

     total energy              =     -12.18283861 Ry
     estimated scf accuracy    <       0.00000198 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.7 secs

     total energy              =     -12.18283888 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2313  -4.3258  -3.6333  -3.2032

     highest occupied level (ev):    -3.2032

!    total energy              =     -12.18283893 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03173894    0.06027570   -0.07210983
     atom    2 type  2   force =    -0.00595803   -0.00827090   -0.00035792
     atom    3 type  2   force =    -0.00292159   -0.00817784   -0.01417472
     atom    4 type  2   force =     0.02951109   -0.01081151   -0.08215765
     atom    5 type  2   force =     0.01110746   -0.03301545    0.04864881

     Total force =     0.146760     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   220
                           time      =   0.0319 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4526799905        9.4384461578        9.4950677694
H            11.4393908904       11.4390337416        9.4085475479
H             8.9314187193        9.1903322417        6.8554993986
H             6.9306969479       10.4128718508       10.3095334276
H            10.3806002850        7.0396406523       10.1846918196


     kinetic energy (Ekin) =           0.01209643 Ry
     temperature           =         318.31261200 K 
     Ekin + Etot (const)   =         -12.17074249 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.7720334585

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.31E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.7 secs

     total energy              =     -12.18268279 Ry
     estimated scf accuracy    <       0.00000746 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.33E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.7 secs

     total energy              =     -12.18268379 Ry
     estimated scf accuracy    <       0.00000209 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.7 secs

     total energy              =     -12.18268406 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2303  -4.3236  -3.6418  -3.1923

     highest occupied level (ev):    -3.1923

!    total energy              =     -12.18268411 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03099511    0.05904864   -0.07209947
     atom    2 type  2   force =    -0.00637188   -0.00846739   -0.00080340
     atom    3 type  2   force =    -0.00271748   -0.00775221   -0.01425828
     atom    4 type  2   force =     0.02936308   -0.01079707   -0.08161191
     atom    5 type  2   force =     0.01072139   -0.03203196    0.04879733

     Total force =     0.145571     Total SCF correction =     0.000071

     Entering Dynamics:    iteration =   221
                           time      =   0.0321 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4526431734        9.4388391740        9.4937158487
H            11.4408106887       11.4385713670        9.4083236729
H             8.9270694307        9.1801549348        6.8556192432
H             6.9312504001       10.4143964690       10.3036474330
H            10.3840103698        7.0377174627       10.1802130895


     kinetic energy (Ekin) =           0.01255075 Ry
     temperature           =         330.26772315 K 
     Ekin + Etot (const)   =         -12.17013336 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8170572750

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.47E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.8 secs

     total energy              =     -12.18253618 Ry
     estimated scf accuracy    <       0.00000760 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.50E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.8 secs

     total energy              =     -12.18253724 Ry
     estimated scf accuracy    <       0.00000217 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.71E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.8 secs

     total energy              =     -12.18253750 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2292  -4.3214  -3.6502  -3.1812

     highest occupied level (ev):    -3.1812

!    total energy              =     -12.18253755 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.03005826    0.05752262   -0.07218096
     atom    2 type  2   force =    -0.00675872   -0.00863960   -0.00124468
     atom    3 type  2   force =    -0.00247020   -0.00734078   -0.01426963
     atom    4 type  2   force =     0.02903976   -0.01071528   -0.07923300
     atom    5 type  2   force =     0.01024742   -0.03082696    0.04888563

     Total force =     0.143140     Total SCF correction =     0.000074

     Entering Dynamics:    iteration =   222
                           time      =   0.0322 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4525957884        9.4392524139        9.4923385507
H            11.4421637483       11.4380236812        9.4080875074
H             8.9226957503        9.1699051419        6.8555981831
H             6.9320906037       10.4158152799       10.2969790571
H            10.3875216422        7.0354898741       10.1762170774


     kinetic energy (Ekin) =           0.01310352 Ry
     temperature           =         344.81375489 K 
     Ekin + Etot (const)   =         -12.16943403 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8616857184

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.76E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.9 secs

     total energy              =     -12.18239567 Ry
     estimated scf accuracy    <       0.00000784 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.80E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.9 secs

     total energy              =     -12.18239680 Ry
     estimated scf accuracy    <       0.00000228 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.85E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.9 secs

     total energy              =     -12.18239706 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2280  -4.3193  -3.6585  -3.1699

     highest occupied level (ev):    -3.1699

!    total energy              =     -12.18239710 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02894387    0.05571029   -0.07235309
     atom    2 type  2   force =    -0.00711933   -0.00878891   -0.00168451
     atom    3 type  2   force =    -0.00218187   -0.00694952   -0.01421112
     atom    4 type  2   force =     0.02855286   -0.01056322   -0.07511795
     atom    5 type  2   force =     0.00969222   -0.02940863    0.04892148

     Total force =     0.139584     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   223
                           time      =   0.0324 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4525382273        9.4396852404        9.4909358149
H            11.4434465085       11.4373892099        9.4078347083
H             8.9183005251        9.1595867262        6.8554367962
H             6.9332127507       10.4171297849       10.2895689335
H            10.3911286197        7.0329718919       10.1727041376


     kinetic energy (Ekin) =           0.01373675 Ry
     temperature           =         361.47696901 K 
     Ekin + Etot (const)   =         -12.16866035 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.9052771872

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       10.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.9 secs

     total energy              =     -12.18225913 Ry
     estimated scf accuracy    <       0.00000839 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.05E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       10.9 secs

     total energy              =     -12.18226031 Ry
     estimated scf accuracy    <       0.00000242 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.02E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.9 secs

     total energy              =     -12.18226057 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       10.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2268  -4.3172  -3.6666  -3.1584

     highest occupied level (ev):    -3.1584

!    total energy              =     -12.18226061 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02764856    0.05362238   -0.07261839
     atom    2 type  2   force =    -0.00744324   -0.00890550   -0.00212184
     atom    3 type  2   force =    -0.00186086   -0.00658165   -0.01407117
     atom    4 type  2   force =     0.02789976   -0.01034257   -0.06943489
     atom    5 type  2   force =     0.00905290   -0.02779265    0.04889965

     Total force =     0.135090     Total SCF correction =     0.000098

     Entering Dynamics:    iteration =   224
                           time      =   0.0325 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4524709456        9.4401369193        9.4895075481
H            11.4446557709       11.4366668016        9.4075609573
H             8.9138869249        9.1492033205        6.8551364644
H             6.9346103922       10.4183421628       10.2814731794
H            10.3948249895        7.0301794729       10.1696740543


     kinetic energy (Ekin) =           0.01442776 Ry
     temperature           =         379.66040397 K 
     Ekin + Etot (const)   =         -12.16783286 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.9472381507

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.94E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.0 secs

     total energy              =     -12.18212444 Ry
     estimated scf accuracy    <       0.00000871 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.09E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.0 secs

     total energy              =     -12.18212568 Ry
     estimated scf accuracy    <       0.00000256 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.0 secs

     total energy              =     -12.18212594 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2256  -4.3151  -3.6747  -3.1468

     highest occupied level (ev):    -3.1468

!    total energy              =     -12.18212598 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02619825    0.05127011   -0.07296668
     atom    2 type  2   force =    -0.00774362   -0.00900286   -0.00255754
     atom    3 type  2   force =    -0.00149435   -0.00622563   -0.01386977
     atom    4 type  2   force =     0.02709084   -0.01005576   -0.06240444
     atom    5 type  2   force =     0.00834537   -0.02598585    0.04883037

     Total force =     0.129918     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   225
                           time      =   0.0327 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4523944532        9.4406066238        9.4880536277
H            11.4457885694       11.4358554952        9.4072619520
H             8.9094585690        9.1387584400        6.8546991765
H             6.9362755406       10.4194552457       10.2727612165
H            10.3986037651        7.0271304582       10.1671261435


     kinetic energy (Ekin) =           0.01515078 Ry
     temperature           =         398.68661791 K 
     Ekin + Etot (const)   =         -12.16697520 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.9870471532

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       11.1 secs

     total energy              =     -12.18198957 Ry
     estimated scf accuracy    <       0.00000846 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.06E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.1 secs

     total energy              =     -12.18199098 Ry
     estimated scf accuracy    <       0.00000277 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.1 secs

     total energy              =     -12.18199123 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2246  -4.3131  -3.6829  -3.1351

     highest occupied level (ev):    -3.1351

!    total energy              =     -12.18199126 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02459825    0.04866628   -0.07340372
     atom    2 type  2   force =    -0.00802356   -0.00908653   -0.00298530
     atom    3 type  2   force =    -0.00107957   -0.00587637   -0.01360888
     atom    4 type  2   force =     0.02612917   -0.00970591   -0.05428964
     atom    5 type  2   force =     0.00757220   -0.02399747    0.04871498

     Total force =     0.124374     Total SCF correction =     0.000096

     Entering Dynamics:    iteration =   226
                           time      =   0.0328 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4523093125        9.4410934382        9.4865739001
H            11.4468421398       11.4349544644        9.4069334686
H             8.9050195529        9.1282555338        6.8541275086
H             6.9381986998       10.4204724882       10.2635131739
H            10.4024573120        7.0238444820       10.1650592657


     kinetic energy (Ekin) =           0.01587897 Ry
     temperature           =         417.84860656 K 
     Ekin + Etot (const)   =         -12.16611229 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.0242735187

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       11.2 secs

     total energy              =     -12.18185299 Ry
     estimated scf accuracy    <       0.00000935 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.2 secs

     total energy              =     -12.18185441 Ry
     estimated scf accuracy    <       0.00000305 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.2 secs

     total energy              =     -12.18185470 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.75E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2233  -4.3112  -3.6908  -3.1231

     highest occupied level (ev):    -3.1231

!    total energy              =     -12.18185473 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02285418    0.04582916   -0.07389451
     atom    2 type  2   force =    -0.00825398   -0.00912698   -0.00342392
     atom    3 type  2   force =    -0.00064515   -0.00555275   -0.01326764
     atom    4 type  2   force =     0.02502262   -0.00928969   -0.04540356
     atom    5 type  2   force =     0.00673069   -0.02185974    0.04854250

     Total force =     0.118772     Total SCF correction =     0.000099

     Entering Dynamics:    iteration =   227
                           time      =   0.0329 pico-seconds


     Velocity rescaling: T ( 417.8K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4522291355        9.4415220419        9.4852941070
H            11.4476533553       11.4341008727        9.4066213263
H             8.9012518833        9.1193013053        6.8535121084
H             6.9400753293       10.4212426951       10.2552287212
H            10.4057889889        7.0208443322       10.1637872739


     kinetic energy (Ekin) =           0.01195350 Ry
     temperature           =         314.55126875 K 
     Ekin + Etot (const)   =         -12.16990123 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.7468023319

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.52E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.2 secs

     total energy              =     -12.18174022 Ry
     estimated scf accuracy    <       0.00000767 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.59E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.2 secs

     total energy              =     -12.18174116 Ry
     estimated scf accuracy    <       0.00000236 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.96E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.2 secs

     total energy              =     -12.18174138 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2222  -4.3095  -3.6973  -3.1129

     highest occupied level (ev):    -3.1129

!    total energy              =     -12.18174141 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.02123178    0.04320543   -0.07438245
     atom    2 type  2   force =    -0.00841568   -0.00912685   -0.00379356
     atom    3 type  2   force =    -0.00025563   -0.00529946   -0.01291299
     atom    4 type  2   force =     0.02394594   -0.00887471   -0.03867600
     atom    5 type  2   force =     0.00595716   -0.01990441    0.04835277

     Total force =     0.114592     Total SCF correction =     0.000070

     Entering Dynamics:    iteration =   228
                           time      =   0.0331 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4521414938        9.4419658357        9.4839881625
H            11.4483814706       11.4331571584        9.4062717249
H             8.8974816896        9.1102947476        6.8527691995
H             6.9421884114       10.4219252691       10.2465623647
H            10.4091794895        7.0176476376       10.1629927385


     kinetic energy (Ekin) =           0.01253818 Ry
     temperature           =         329.93706757 K 
     Ekin + Etot (const)   =         -12.16920323 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.7784634616

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.96E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.3 secs

     total energy              =     -12.18162923 Ry
     estimated scf accuracy    <       0.00000808 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.3 secs

     total energy              =     -12.18163020 Ry
     estimated scf accuracy    <       0.00000251 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.3 secs

     total energy              =     -12.18163043 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2212  -4.3080  -3.7038  -3.1028

     highest occupied level (ev):    -3.1028

!    total energy              =     -12.18163047 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01950307    0.04038252   -0.07492676
     atom    2 type  2   force =    -0.00854057   -0.00910018   -0.00415875
     atom    3 type  2   force =     0.00017061   -0.00505332   -0.01249409
     atom    4 type  2   force =     0.02274140   -0.00841017   -0.03147064
     atom    5 type  2   force =     0.00513163   -0.01781885    0.04803025

     Total force =     0.110494     Total SCF correction =     0.000067

     Entering Dynamics:    iteration =   229
                           time      =   0.0332 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4520469953        9.4424238271        9.4826558754
H            11.4490252526       11.4321235849        9.4058810581
H             8.8937131804        9.1012382912        6.8519029186
H             6.9445260520       10.4225247975       10.2375852532
H            10.4126206620        7.0142749919       10.1626724749


     kinetic energy (Ekin) =           0.01310337 Ry
     temperature           =         344.80962953 K 
     Ekin + Etot (const)   =         -12.16852710 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8077945020

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.46E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.4 secs

     total energy              =     -12.18151920 Ry
     estimated scf accuracy    <       0.00000852 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.07E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.4 secs

     total energy              =     -12.18152020 Ry
     estimated scf accuracy    <       0.00000266 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.4 secs

     total energy              =     -12.18152043 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2201  -4.3064  -3.7102  -3.0926

     highest occupied level (ev):    -3.0926

!    total energy              =     -12.18152047 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01766729    0.03736643   -0.07553295
     atom    2 type  2   force =    -0.00862789   -0.00903736   -0.00452702
     atom    3 type  2   force =     0.00060994   -0.00482504   -0.01200664
     atom    4 type  2   force =     0.02142244   -0.00789180   -0.02398381
     atom    5 type  2   force =     0.00426280   -0.01561223    0.04725852

     Total force =     0.106535     Total SCF correction =     0.000065

     Entering Dynamics:    iteration =   230
                           time      =   0.0334 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4519462853        9.4428949558        9.4812970326
H            11.4495838391       11.4310007726        9.4054456895
H             8.8899506941        9.0921341903        6.8509180788
H             6.9470752273       10.4230463987       10.2283713151
H            10.4161039273        7.0107481841       10.1628188625


     kinetic energy (Ekin) =           0.01363469 Ry
     temperature           =         358.79109591 K 
     Ekin + Etot (const)   =         -12.16788578 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8347592340

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.88E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.4 secs

     total energy              =     -12.18140881 Ry
     estimated scf accuracy    <       0.00000892 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.11E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.4 secs

     total energy              =     -12.18140983 Ry
     estimated scf accuracy    <       0.00000279 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.5 secs

     total energy              =     -12.18141007 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2190  -4.3049  -3.7165  -3.0825

     highest occupied level (ev):    -3.0825

!    total energy              =     -12.18141011 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01573340    0.03418318   -0.07617101
     atom    2 type  2   force =    -0.00868390   -0.00895060   -0.00489421
     atom    3 type  2   force =     0.00107677   -0.00460487   -0.01147232
     atom    4 type  2   force =     0.01998914   -0.00732372   -0.01641508
     atom    5 type  2   force =     0.00335139   -0.01330399    0.04588875

     Total force =     0.102802     Total SCF correction =     0.000066

     Entering Dynamics:    iteration =   231
                           time      =   0.0335 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4518400438        9.4433781025        9.4799114096
H            11.4500566769       11.4297895781        9.4049619934
H             8.8861988403        9.0829846188        6.8498199562
H             6.9498217840       10.4234956824       10.2189952873
H            10.4196202857        7.0070900070       10.1634183758


     kinetic energy (Ekin) =           0.01412019 Ry
     temperature           =         371.56694351 K 
     Ekin + Etot (const)   =         -12.16728992 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8594821912

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       11.5 secs

     total energy              =     -12.18129657 Ry
     estimated scf accuracy    <       0.00000828 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.5 secs

     total energy              =     -12.18129786 Ry
     estimated scf accuracy    <       0.00000292 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.5 secs

     total energy              =     -12.18129809 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2180  -4.3035  -3.7228  -3.0725

     highest occupied level (ev):    -3.0725

!    total energy              =     -12.18129812 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01372473    0.03084264   -0.07683591
     atom    2 type  2   force =    -0.00870160   -0.00883419   -0.00526389
     atom    3 type  2   force =     0.00156477   -0.00439207   -0.01088556
     atom    4 type  2   force =     0.01845155   -0.00671197   -0.00893994
     atom    5 type  2   force =     0.00241000   -0.01090441    0.04377991

     Total force =     0.099358     Total SCF correction =     0.000093

     Entering Dynamics:    iteration =   232
                           time      =   0.0337 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4517289769        9.4438720929        9.4784987728
H            11.4504435914       11.4284911509        9.4044263193
H             8.8824624377        9.0737916781        6.8486143448
H             6.9527505395       10.4238786891       10.2095309826
H            10.4231604415        7.0033241549       10.1644501912


     kinetic energy (Ekin) =           0.01455020 Ry
     temperature           =         382.88254087 K 
     Ekin + Etot (const)   =         -12.16674792 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.8822089263

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       11.6 secs

     total energy              =     -12.18118172 Ry
     estimated scf accuracy    <       0.00000876 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.6 secs

     total energy              =     -12.18118301 Ry
     estimated scf accuracy    <       0.00000308 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.86E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.6 secs

     total energy              =     -12.18118326 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2169  -4.3021  -3.7289  -3.0626

     highest occupied level (ev):    -3.0626

!    total energy              =     -12.18118329 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01163867    0.02737530   -0.07753722
     atom    2 type  2   force =    -0.00868452   -0.00868637   -0.00563351
     atom    3 type  2   force =     0.00206295   -0.00418935   -0.01024693
     atom    4 type  2   force =     0.01682470   -0.00605597   -0.00171408
     atom    5 type  2   force =     0.00143555   -0.00844361    0.04080804

     Total force =     0.096269     Total SCF correction =     0.000091

     Entering Dynamics:    iteration =   233
                           time      =   0.0338 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4516138182        9.4443757078        9.4770588755
H            11.4507447510       11.4271069507        9.4038350176
H             8.8787464055        9.0645573700        6.8473075508
H             6.9558454295       10.4242018964       10.2000497524
H            10.4267147725        6.9994749270       10.1658849629


     kinetic energy (Ekin) =           0.01491730 Ry
     temperature           =         392.54249876 K 
     Ekin + Etot (const)   =         -12.16626599 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.9032968798

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       11.7 secs

     total energy              =     -12.18106288 Ry
     estimated scf accuracy    <       0.00000934 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.7 secs

     total energy              =     -12.18106409 Ry
     estimated scf accuracy    <       0.00000315 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.7 secs

     total energy              =     -12.18106435 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2158  -4.3007  -3.7349  -3.0527

     highest occupied level (ev):    -3.0527

!    total energy              =     -12.18106438 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00949893    0.02379946   -0.07826228
     atom    2 type  2   force =    -0.00863253   -0.00850466   -0.00600339
     atom    3 type  2   force =     0.00256701   -0.00399600   -0.00955978
     atom    4 type  2   force =     0.01511905   -0.00536082    0.00513676
     atom    5 type  2   force =     0.00044540   -0.00593798    0.03683518

     Total force =     0.093565     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   234
                           time      =   0.0340 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514953198        9.4448876901        9.4755914629
H            11.4509606693       11.4256387718        9.4031844357
H             8.8750557211        9.0552836035        6.8459063593
H             6.9590896116       10.4244721687       10.1906192448
H            10.4302735017        6.9955670648       10.1676834614


     kinetic energy (Ekin) =           0.01521602 Ry
     temperature           =         400.40319496 K 
     Ekin + Etot (const)   =         -12.16584836 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.9232051059

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       11.7 secs

     total energy              =     -12.18093862 Ry
     estimated scf accuracy    <       0.00000946 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.18E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.7 secs

     total energy              =     -12.18093985 Ry
     estimated scf accuracy    <       0.00000321 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.7 secs

     total energy              =     -12.18094010 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2148  -4.2994  -3.7408  -3.0431

     highest occupied level (ev):    -3.0431

!    total energy              =     -12.18094013 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00732001    0.02012938   -0.07900427
     atom    2 type  2   force =    -0.00854308   -0.00829342   -0.00637431
     atom    3 type  2   force =     0.00308030   -0.00380658   -0.00882926
     atom    4 type  2   force =     0.01334125   -0.00463303    0.01152731
     atom    5 type  2   force =    -0.00055846   -0.00339635    0.03173318

     Total force =     0.091301     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   235
                           time      =   0.0341 pico-seconds


     Velocity rescaling: T ( 400.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4513901754        9.4453379336        9.4742935101
H            11.4510632077       11.4242860389        9.4025583563
H             8.8718915206        9.0472187430        6.8446063189
H             6.9620294781       10.4246603650       10.1825701244
H            10.4333483849        6.9921509242       10.1695535697


     kinetic energy (Ekin) =           0.01158110 Ry
     temperature           =         304.75171626 K 
     Ekin + Etot (const)   =         -12.16935904 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.6826740394

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.70E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.8 secs

     total energy              =     -12.18083137 Ry
     estimated scf accuracy    <       0.00000786 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.83E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.8 secs

     total energy              =     -12.18083215 Ry
     estimated scf accuracy    <       0.00000248 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.10E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.8 secs

     total energy              =     -12.18083235 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.25E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2139  -4.2984  -3.7458  -3.0349

     highest occupied level (ev):    -3.0349

!    total energy              =     -12.18083239 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00540305    0.01688255   -0.07966774
     atom    2 type  2   force =    -0.00843156   -0.00807791   -0.00669283
     atom    3 type  2   force =     0.00352255   -0.00365055   -0.00815527
     atom    4 type  2   force =     0.01174877   -0.00397341    0.01583427
     atom    5 type  2   force =    -0.00143671   -0.00118067    0.02568817

     Total force =     0.089456     Total SCF correction =     0.000059

     Entering Dynamics:    iteration =   236
                           time      =   0.0343 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4512831313        9.4457941126        9.4729675478
H            11.4510824892       11.4228535413        9.4018661889
H             8.8687621032        9.0391178353        6.8432257499
H             6.9650853571       10.4248093261       10.1746773585
H            10.4364090815        6.9887231251       10.1716773343


     kinetic energy (Ekin) =           0.01172206 Ry
     temperature           =         308.46110193 K 
     Ekin + Etot (const)   =         -12.16911033 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.7021629317

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       11.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.74E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.9 secs

     total energy              =     -12.18072343 Ry
     estimated scf accuracy    <       0.00000789 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.87E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       11.9 secs

     total energy              =     -12.18072420 Ry
     estimated scf accuracy    <       0.00000250 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       11.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2133  -4.2974  -3.7510  -3.0270

     highest occupied level (ev):    -3.0270

!    total energy              =     -12.18072441 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00350697    0.01359311   -0.08034437
     atom    2 type  2   force =    -0.00827627   -0.00784315   -0.00700759
     atom    3 type  2   force =     0.00397341   -0.00350425   -0.00744744
     atom    4 type  2   force =     0.01010847   -0.00330146    0.01978725
     atom    5 type  2   force =    -0.00229864    0.00105574    0.01841054

     Total force =     0.088119     Total SCF correction =     0.000226

     Entering Dynamics:    iteration =   237
                           time      =   0.0344 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4511748542        9.4462550706        9.4716133382
H            11.4510200472       11.4213435969        9.4011048255
H             8.8656719211        9.0309823252        6.8417716416
H             6.9682410515       10.4249256871       10.1669799806
H            10.4394470803        6.9853057509       10.1739828926


     kinetic energy (Ekin) =           0.01181290 Ry
     temperature           =         310.85151236 K 
     Ekin + Etot (const)   =         -12.16891151 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.7227119946

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.15E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.0 secs

     total energy              =     -12.18061315 Ry
     estimated scf accuracy    <       0.00000826 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.0 secs

     total energy              =     -12.18061388 Ry
     estimated scf accuracy    <       0.00000258 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.0 secs

     total energy              =     -12.18061411 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2122  -4.2964  -3.7556  -3.0192

     highest occupied level (ev):    -3.0192

!    total energy              =     -12.18061414 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00155746    0.01023057   -0.08100031
     atom    2 type  2   force =    -0.00810316   -0.00755781   -0.00733906
     atom    3 type  2   force =     0.00440850   -0.00332933   -0.00671932
     atom    4 type  2   force =     0.00843290   -0.00259791    0.02334762
     atom    5 type  2   force =    -0.00318078    0.00325447    0.00990206

     Total force =     0.087534     Total SCF correction =     0.000061

     Entering Dynamics:    iteration =   238
                           time      =   0.0345 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4510660296        9.4467196255        9.4702306506
H            11.4508775910       11.4197590234        9.4002709930
H             8.8626252704        9.0228139398        6.8402511838
H             6.9714800162       10.4250163953       10.1595131473
H            10.4424536708        6.9819205127       10.1763862282


     kinetic energy (Ekin) =           0.01185036 Ry
     temperature           =         311.83733557 K 
     Ekin + Etot (const)   =         -12.16876378 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.7449139828

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.67E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.0 secs

     total energy              =     -12.18049825 Ry
     estimated scf accuracy    <       0.00000783 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.79E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.0 secs

     total energy              =     -12.18049899 Ry
     estimated scf accuracy    <       0.00000249 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2117  -4.2956  -3.7607  -3.0118

     highest occupied level (ev):    -3.0118

!    total energy              =     -12.18049920 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00032337    0.00689111   -0.08169019
     atom    2 type  2   force =    -0.00787994   -0.00726113   -0.00765464
     atom    3 type  2   force =     0.00484866   -0.00317927   -0.00595861
     atom    4 type  2   force =     0.00672871   -0.00189583    0.02653115
     atom    5 type  2   force =    -0.00402080    0.00544512    0.00018547

     Total force =     0.088102     Total SCF correction =     0.000224

     Entering Dynamics:    iteration =   239
                           time      =   0.0347 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4509573187        9.4471866032        9.4688192424
H            11.4506573248       11.4181027503        9.3993615753
H             8.8596264976        9.0146141609        6.8386718880
H             6.9747854230       10.4250883832       10.1523082943
H            10.4454205580        6.9785890420       10.1787913952


     kinetic energy (Ekin) =           0.01183289 Ry
     temperature           =         311.37765860 K 
     Ekin + Etot (const)   =         -12.16866631 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.7693632010

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.93E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.1 secs

     total energy              =     -12.18037630 Ry
     estimated scf accuracy    <       0.00000806 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.1 secs

     total energy              =     -12.18037700 Ry
     estimated scf accuracy    <       0.00000253 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.1 secs

     total energy              =     -12.18037721 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2108  -4.2949  -3.7652  -3.0043

     highest occupied level (ev):    -3.0043

!    total energy              =     -12.18037724 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00223111    0.00351332   -0.08236720
     atom    2 type  2   force =    -0.00764094   -0.00691560   -0.00798426
     atom    3 type  2   force =     0.00526711   -0.00299298   -0.00518500
     atom    4 type  2   force =     0.00501012   -0.00116970    0.02931992
     atom    5 type  2   force =    -0.00486740    0.00756495   -0.01061592

     Total force =     0.090083     Total SCF correction =     0.000059

     Entering Dynamics:    iteration =   240
                           time      =   0.0348 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4508493922        9.4476548161        9.4673788757
H            11.4503616085       11.4163781896        9.3983733174
H             8.8566797345        9.0063848281        6.8370413934
H             6.9781403021       10.4251488210       10.1453929590
H            10.4483393824        6.9753322709       10.1810917360


     kinetic energy (Ekin) =           0.01176149 Ry
     temperature           =         309.49867541 K 
     Ekin + Etot (const)   =         -12.16861576 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.7966293156

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.2 secs

     total energy              =     -12.18024480 Ry
     estimated scf accuracy    <       0.00000772 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.65E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.2 secs

     total energy              =     -12.18024550 Ry
     estimated scf accuracy    <       0.00000240 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.00E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2104  -4.2943  -3.7702  -2.9973

     highest occupied level (ev):    -2.9973

!    total energy              =     -12.18024570 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00399301    0.00017012   -0.08303834
     atom    2 type  2   force =    -0.00734794   -0.00655156   -0.00830700
     atom    3 type  2   force =     0.00569487   -0.00279150   -0.00440299
     atom    4 type  2   force =     0.00329887   -0.00046374    0.03173453
     atom    5 type  2   force =    -0.00563882    0.00963668   -0.02235011

     Total force =     0.093698     Total SCF correction =     0.000197

     Entering Dynamics:    iteration =   241
                           time      =   0.0350 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4507428695        9.4481230888        9.4659093145
H            11.4499933355       11.4145889359        9.3973030327
H             8.8537892051        8.9981279307        6.8353674216
H             6.9815277556       10.4252046797       10.1387909844
H            10.4512025267        6.9721706566       10.1831713820


     kinetic energy (Ekin) =           0.01164069 Ry
     temperature           =         306.32001865 K 
     Ekin + Etot (const)   =         -12.16860500 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.8272286314

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.33E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.3 secs

     total energy              =     -12.18010122 Ry
     estimated scf accuracy    <       0.00000772 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.65E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.3 secs

     total energy              =     -12.18010188 Ry
     estimated scf accuracy    <       0.00000238 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.98E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2099  -4.2939  -3.7749  -2.9903

     highest occupied level (ev):    -2.9903

!    total energy              =     -12.18010208 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00578162   -0.00312052   -0.08375522
     atom    2 type  2   force =    -0.00703969   -0.00615853   -0.00862489
     atom    3 type  2   force =     0.00609117   -0.00259446   -0.00360102
     atom    4 type  2   force =     0.00157332    0.00025642    0.03378534
     atom    5 type  2   force =    -0.00640642    0.01161709   -0.03472264

     Total force =     0.099007     Total SCF correction =     0.000201

     Entering Dynamics:    iteration =   242
                           time      =   0.0351 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4506383796        9.4485902643        9.4644103067
H            11.4495555495       11.4127388701        9.3961475820
H             8.8509588226        8.9898454146        6.8336578918
H             6.9849307447       10.4252630704       10.1325226211
H            10.4540024112        6.9691237546       10.1849081615


     kinetic energy (Ekin) =           0.01147989 Ry
     temperature           =         302.08848286 K 
     Ekin + Etot (const)   =         -12.16862219 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.8615940688

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.97E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.3 secs

     total energy              =     -12.17994309 Ry
     estimated scf accuracy    <       0.00000739 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.24E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.3 secs

     total energy              =     -12.17994372 Ry
     estimated scf accuracy    <       0.00000229 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2096  -4.2937  -3.7796  -2.9834

     highest occupied level (ev):    -2.9834

!    total energy              =     -12.17994391 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00750870   -0.00634703   -0.08449132
     atom    2 type  2   force =    -0.00670264   -0.00573516   -0.00893869
     atom    3 type  2   force =     0.00646370   -0.00238430   -0.00279589
     atom    4 type  2   force =    -0.00013822    0.00097155    0.03547940
     atom    5 type  2   force =    -0.00713154    0.01349495   -0.04741082

     Total force =     0.105778     Total SCF correction =     0.000190

     Entering Dynamics:    iteration =   243
                           time      =   0.0353 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4505365295        9.4490552084        9.4628815936
H            11.4490515787       11.4108321728        9.3949038667
H             8.8481922655        8.9815393549        6.8319207542
H             6.9883323690       10.4253310545       10.1266045969
H            10.4567318758        6.9662101076       10.1861767857


     kinetic energy (Ekin) =           0.01129392 Ry
     temperature           =         297.19470141 K 
     Ekin + Etot (const)   =         -12.16865000 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.9000457726

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.54E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.4 secs

     total energy              =     -12.17976808 Ry
     estimated scf accuracy    <       0.00000700 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.75E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.4 secs

     total energy              =     -12.17976869 Ry
     estimated scf accuracy    <       0.00000219 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.73E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2093  -4.2938  -3.7843  -2.9766

     highest occupied level (ev):    -2.9766

!    total energy              =     -12.17976887 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00916003   -0.00949164   -0.08525282
     atom    2 type  2   force =    -0.00633837   -0.00528449   -0.00924744
     atom    3 type  2   force =     0.00681309   -0.00215465   -0.00199161
     atom    4 type  2   force =    -0.00182738    0.00167563    0.03682888
     atom    5 type  2   force =    -0.00780737    0.01525515   -0.06001387

     Total force =     0.113616     Total SCF correction =     0.000175

     Entering Dynamics:    iteration =   244
                           time      =   0.0354 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4504378999        9.4495168155        9.4613229074
H            11.4484850200       11.4088732943        9.3935688383
H             8.8454929838        8.9732120192        6.8301639505
H             6.9917159488       10.4254155845       10.1210502373
H            10.4593842470        6.9634470967       10.1868528067


     kinetic energy (Ekin) =           0.01110312 Ry
     temperature           =         292.17409762 K 
     Ekin + Etot (const)   =         -12.16866574 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.9427646793

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.5 secs

     total energy              =     -12.17957406 Ry
     estimated scf accuracy    <       0.00000659 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.24E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.5 secs

     total energy              =     -12.17957466 Ry
     estimated scf accuracy    <       0.00000208 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.59E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2092  -4.2942  -3.7891  -2.9698

     highest occupied level (ev):    -2.9698

!    total energy              =     -12.17957482 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01074412   -0.01254764   -0.08605598
     atom    2 type  2   force =    -0.00594478   -0.00480610   -0.00955248
     atom    3 type  2   force =     0.00714217   -0.00189782   -0.00119859
     atom    4 type  2   force =    -0.00350553    0.00236592    0.03785815
     atom    5 type  2   force =    -0.00843598    0.01688563   -0.07207754

     Total force =     0.122012     Total SCF correction =     0.000143

     Entering Dynamics:    iteration =   245
                           time      =   0.0356 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4503430477        9.4499740110        9.4597339658
H            11.4478597601       11.4068669581        9.3921394844
H             8.8428642269        8.9648659435        6.8283953115
H             6.9950649136       10.4255234767       10.1158697057
H            10.4619533176        6.9608508218       10.1868171024


     kinetic energy (Ekin) =           0.01093261 Ry
     temperature           =         287.68719134 K 
     Ekin + Etot (const)   =         -12.16864220 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.9897715456

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.6 secs

     total energy              =     -12.17935922 Ry
     estimated scf accuracy    <       0.00000617 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.71E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.6 secs

     total energy              =     -12.17935982 Ry
     estimated scf accuracy    <       0.00000196 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.45E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2093  -4.2948  -3.7939  -2.9631

     highest occupied level (ev):    -2.9631

!    total energy              =     -12.17935995 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01221596   -0.01547007   -0.08689329
     atom    2 type  2   force =    -0.00553274   -0.00430693   -0.00984498
     atom    3 type  2   force =     0.00743406   -0.00162239   -0.00040335
     atom    4 type  2   force =    -0.00512151    0.00303828    0.03853413
     atom    5 type  2   force =    -0.00899578    0.01836111   -0.08312649

     Total force =     0.130352     Total SCF correction =     0.000116

     Entering Dynamics:    iteration =   246
                           time      =   0.0357 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4502524904        9.4504257677        9.4581144743
H            11.4471798674       11.4048180934        9.3906129168
H             8.8403088773        8.9565038477        6.8266226897
H             6.9983633064       10.4256613702       10.1110696769
H            10.4644335599        6.9584358526       10.1859605707


     kinetic energy (Ekin) =           0.01081095 Ry
     temperature           =         284.48553567 K 
     Ekin + Etot (const)   =         -12.16854900 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.0409141235

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.27E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.6 secs

     total energy              =     -12.17912208 Ry
     estimated scf accuracy    <       0.00000580 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.25E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.6 secs

     total energy              =     -12.17912265 Ry
     estimated scf accuracy    <       0.00000187 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.34E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2095  -4.2957  -3.7987  -2.9563

     highest occupied level (ev):    -2.9563

!    total energy              =     -12.17912277 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01357211   -0.01826218   -0.08774399
     atom    2 type  2   force =    -0.00510017   -0.00377872   -0.01013106
     atom    3 type  2   force =     0.00769732   -0.00132015    0.00036290
     atom    4 type  2   force =    -0.00668077    0.00367499    0.03886922
     atom    5 type  2   force =    -0.00948850    0.01968606   -0.09269280

     Total force =     0.138055     Total SCF correction =     0.000092

     Entering Dynamics:    iteration =   247
                           time      =   0.0358 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4501667048        9.4508711037        9.4564641339
H            11.4464496135       11.4027319160        9.3889863108
H             8.8378295343        8.9481287161        6.8248536513
H             7.0015957303       10.4258355521       10.1066534599
H            10.4668201087        6.9562152723       10.1841887497


     kinetic energy (Ekin) =           0.01076761 Ry
     temperature           =         283.34506274 K 
     Ekin + Etot (const)   =         -12.16835517 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.0958646914

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.7 secs

     total energy              =     -12.17886150 Ry
     estimated scf accuracy    <       0.00000561 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.01E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.7 secs

     total energy              =     -12.17886208 Ry
     estimated scf accuracy    <       0.00000179 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.23E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2099  -4.2969  -3.8036  -2.9494

     highest occupied level (ev):    -2.9494

!    total energy              =     -12.17886220 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01482613   -0.02091415   -0.08868023
     atom    2 type  2   force =    -0.00465014   -0.00324016   -0.01040545
     atom    3 type  2   force =     0.00793147   -0.00097588    0.00113239
     atom    4 type  2   force =    -0.00818946    0.00428680    0.03886774
     atom    5 type  2   force =    -0.00991800    0.02084338   -0.10032415

     Total force =     0.144640     Total SCF correction =     0.000074

     Entering Dynamics:    iteration =   248
                           time      =   0.0360 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500861317        9.4513090867        9.4547826155
H            11.4456734420       11.4006137438        9.3872569568
H             8.8354285102        8.9397439483        6.8230957946
H             7.0047472880       10.4260520638       10.1026210400
H            10.4691087227        6.9542005086       10.1814262841


     kinetic energy (Ekin) =           0.01082953 Ry
     temperature           =         284.97452561 K 
     Ekin + Etot (const)   =         -12.16803267 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.1541294559

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.8 secs

     total energy              =     -12.17857688 Ry
     estimated scf accuracy    <       0.00000546 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.82E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.8 secs

     total energy              =     -12.17857747 Ry
     estimated scf accuracy    <       0.00000174 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.17E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2106  -4.2985  -3.8087  -2.9425

     highest occupied level (ev):    -2.9425

!    total energy              =     -12.17857759 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01593928   -0.02341974   -0.08962542
     atom    2 type  2   force =    -0.00417738   -0.00267580   -0.01067801
     atom    3 type  2   force =     0.00813570   -0.00059721    0.00185966
     atom    4 type  2   force =    -0.00962805    0.00485998    0.03850868
     atom    5 type  2   force =    -0.01026955    0.02183277   -0.10567387

     Total force =     0.149640     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   249
                           time      =   0.0361 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500111625        9.4517388359        9.4530695866
H            11.4448560212       11.3984691496        9.3854221635
H             8.8331078215        8.9313532833        6.8213563011
H             7.0078037742       10.4263165651       10.0989688716
H            10.4712959307        6.9524013313       10.1776203484


     kinetic energy (Ekin) =           0.01101788 Ry
     temperature           =         289.93089076 K 
     Ekin + Etot (const)   =         -12.16755971 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.2150704515

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.9 secs

     total energy              =     -12.17826800 Ry
     estimated scf accuracy    <       0.00000545 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.81E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.9 secs

     total energy              =     -12.17826863 Ry
     estimated scf accuracy    <       0.00000173 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.16E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2114  -4.3004  -3.8139  -2.9353

     highest occupied level (ev):    -2.9353

!    total energy              =     -12.17826875 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01692214   -0.02576052   -0.09061456
     atom    2 type  2   force =    -0.00368748   -0.00209341   -0.01094131
     atom    3 type  2   force =     0.00830577   -0.00018422    0.00255511
     atom    4 type  2   force =    -0.01099347    0.00539429    0.03777402
     atom    5 type  2   force =    -0.01054696    0.02264386   -0.10846337

     Total force =     0.152772     Total SCF correction =     0.000082

     Entering Dynamics:    iteration =   250
                           time      =   0.0363 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4499421427        9.4521595282        9.4513246997
H            11.4440021887       11.3963038841        9.3834793308
H             8.8308691477        8.9229607993        6.8196420378
H             7.0107517060       10.4266343320       10.0956897006
H            10.4733789933        6.9508257494       10.1727433978


     kinetic energy (Ekin) =           0.01134502 Ry
     temperature           =         298.53960910 K 
     Ekin + Etot (const)   =         -12.16692373 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.2779390271

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       12.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.94E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       12.9 secs

     total energy              =     -12.17793517 Ry
     estimated scf accuracy    <       0.00000554 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.93E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.9 secs

     total energy              =     -12.17793583 Ry
     estimated scf accuracy    <       0.00000176 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.19E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       12.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2123  -4.3027  -3.8192  -2.9281

     highest occupied level (ev):    -2.9281

!    total energy              =     -12.17793596 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01776166   -0.02792564   -0.09164211
     atom    2 type  2   force =    -0.00318259   -0.00149490   -0.01119138
     atom    3 type  2   force =     0.00844260    0.00026404    0.00321787
     atom    4 type  2   force =    -0.01227618    0.00588549    0.03663719
     atom    5 type  2   force =    -0.01074548    0.02327101   -0.10855649

     Total force =     0.153890     Total SCF correction =     0.000101

     Entering Dynamics:    iteration =   251
                           time      =   0.0364 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4498793676        9.4525704025        9.4495475933
H            11.4431169298       11.3941238573        9.3814259896
H             8.8287138398        8.9145709226        6.8179595493
H             7.0135784174       10.4270102149       10.0927723012
H            10.4753559504        6.9494799555       10.1667945129


     kinetic energy (Ekin) =           0.01181220 Ry
     temperature           =         310.83307705 K 
     Ekin + Etot (const)   =         -12.16612377 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.3419187183

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.0 secs

     total energy              =     -12.17757909 Ry
     estimated scf accuracy    <       0.00000581 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.27E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.0 secs

     total energy              =     -12.17757981 Ry
     estimated scf accuracy    <       0.00000182 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.27E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2135  -4.3052  -3.8247  -2.9206

     highest occupied level (ev):    -2.9206

!    total energy              =     -12.17757996 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01846750   -0.02991825   -0.09270848
     atom    2 type  2   force =    -0.00266477   -0.00088140   -0.01143260
     atom    3 type  2   force =     0.00854157    0.00074584    0.00384029
     atom    4 type  2   force =    -0.01347337    0.00633300    0.03507143
     atom    5 type  2   force =    -0.01087093    0.02372080   -0.10593159

     Total force =     0.153009     Total SCF correction =     0.000121

     Entering Dynamics:    iteration =   252
                           time      =   0.0366 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4498230853        9.4529707581        9.4477378925
H            11.4422053578       11.3919351272        9.3792597579
H             8.8266428750        8.9061884106        6.8163149814
H             7.0162720869       10.4274486326       10.0902012124
H            10.4772255631        6.9483683913       10.1597996131


     kinetic energy (Ekin) =           0.01240847 Ry
     temperature           =         326.52379625 K 
     Ekin + Etot (const)   =         -12.16517149 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4061741931

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.1 secs

     total energy              =     -12.17720095 Ry
     estimated scf accuracy    <       0.00000632 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.90E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.1 secs

     total energy              =     -12.17720172 Ry
     estimated scf accuracy    <       0.00000190 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.37E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2149  -4.3081  -3.8304  -2.9130

     highest occupied level (ev):    -2.9130

!    total energy              =     -12.17720189 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01903246   -0.03172746   -0.09380932
     atom    2 type  2   force =    -0.00213652   -0.00025618   -0.01166698
     atom    3 type  2   force =     0.00860239    0.00125881    0.00441463
     atom    4 type  2   force =    -0.01457613    0.00673304    0.03305012
     atom    5 type  2   force =    -0.01092220    0.02399179   -0.10070954

     Total force =     0.150307     Total SCF correction =     0.000140

     Entering Dynamics:    iteration =   253
                           time      =   0.0367 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497734944        9.4533599591        9.4458952105
H            11.4412726889       11.3897438674        9.3769783213
H             8.8246568540        8.8978183286        6.8147140055
H             7.0188218253       10.4279535353       10.0879564751
H            10.4789873252        6.9474937326       10.1518102631


     kinetic energy (Ekin) =           0.01311128 Ry
     temperature           =         345.01799509 K 
     Ekin + Etot (const)   =         -12.16409061 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4699020778

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.18E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.2 secs

     total energy              =     -12.17680228 Ry
     estimated scf accuracy    <       0.00000683 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.54E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.2 secs

     total energy              =     -12.17680312 Ry
     estimated scf accuracy    <       0.00000201 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2164  -4.3112  -3.8362  -2.9052

     highest occupied level (ev):    -2.9052

!    total energy              =     -12.17680332 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01944784   -0.03336460   -0.09492856
     atom    2 type  2   force =    -0.00160136    0.00037791   -0.01188250
     atom    3 type  2   force =     0.00862920    0.00179876    0.00495690
     atom    4 type  2   force =    -0.01557390    0.00708993    0.03053028
     atom    5 type  2   force =    -0.01090177    0.02409800   -0.09316638

     Total force =     0.146128     Total SCF correction =     0.000171

     Entering Dynamics:    iteration =   254
                           time      =   0.0369 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497307409        9.4537374297        9.4440191535
H            11.4403242075       11.3875563393        9.3745795516
H             8.8227560414        8.8894660084        6.8131619762
H             7.0212177801       10.4285284471       10.0860132070
H            10.4806414385        6.9468570281       10.1429009474


     kinetic energy (Ekin) =           0.01388860 Ry
     temperature           =         365.47274378 K 
     Ekin + Etot (const)   =         -12.16291472 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5323792056

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.82E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.2 secs

     total energy              =     -12.17638495 Ry
     estimated scf accuracy    <       0.00000746 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.33E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.2 secs

     total energy              =     -12.17638588 Ry
     estimated scf accuracy    <       0.00000216 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.70E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2180  -4.3146  -3.8421  -2.8972

     highest occupied level (ev):    -2.8972

!    total energy              =     -12.17638612 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01971328   -0.03482110   -0.09601044
     atom    2 type  2   force =    -0.00105798    0.00102508   -0.01210138
     atom    3 type  2   force =     0.00860454    0.00236495    0.00542810
     atom    4 type  2   force =    -0.01645983    0.00739106    0.02748706
     atom    5 type  2   force =    -0.01080001    0.02404001   -0.08364438

     Total force =     0.140886     Total SCF correction =     0.000208

     Entering Dynamics:    iteration =   255
                           time      =   0.0370 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496949182        9.4541026580        9.4421093414
H            11.4393652790       11.3853789333        9.3720612877
H             8.8209401939        8.8811370408        6.8116635463
H             7.0234512034       10.4291763414       10.0843413583
H            10.4821889077        6.9464577051       10.1331656905


     kinetic energy (Ekin) =           0.01470221 Ry
     temperature           =         386.88244759 K 
     Ekin + Etot (const)   =         -12.16168391 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5930038227

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.3 secs

     total energy              =     -12.17595110 Ry
     estimated scf accuracy    <       0.00000812 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.3 secs

     total energy              =     -12.17595210 Ry
     estimated scf accuracy    <       0.00000231 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.3 secs

     total energy              =     -12.17595235 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2201  -4.3184  -3.8484  -2.8895

     highest occupied level (ev):    -2.8895

!    total energy              =     -12.17595240 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01982394   -0.03605665   -0.09714786
     atom    2 type  2   force =    -0.00050012    0.00166771   -0.01230713
     atom    3 type  2   force =     0.00857840    0.00292633    0.00590833
     atom    4 type  2   force =    -0.01726151    0.00763099    0.02391427
     atom    5 type  2   force =    -0.01064071    0.02383163   -0.07257975

     Total force =     0.135201     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   256
                           time      =   0.0372 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496660652        9.4544552096        9.4401653741
H            11.4384014122       11.3832179949        9.3694214977
H             8.8192090533        8.8728369690        6.8102234579
H             7.0255141790       10.4298995875       10.0829056495
H            10.4836313058        6.9462937061       10.1227137493


     kinetic energy (Ekin) =           0.01551165 Ry
     temperature           =         408.18260028 K 
     Ekin + Etot (const)   =         -12.16044075 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.6513262915

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.4 secs

     total energy              =     -12.17550302 Ry
     estimated scf accuracy    <       0.00000819 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.4 secs

     total energy              =     -12.17550412 Ry
     estimated scf accuracy    <       0.00000236 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.96E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.4 secs

     total energy              =     -12.17550437 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2219  -4.3221  -3.8546  -2.8812

     highest occupied level (ev):    -2.8812

!    total energy              =     -12.17550442 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01981068   -0.03716042   -0.09827550
     atom    2 type  2   force =     0.00004479    0.00232150   -0.01250088
     atom    3 type  2   force =     0.00850585    0.00353206    0.00630639
     atom    4 type  2   force =    -0.01794189    0.00783511    0.01979357
     atom    5 type  2   force =    -0.01041943    0.02347176   -0.06039592

     Total force =     0.129615     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   257
                           time      =   0.0373 pico-seconds


     Velocity rescaling: T ( 408.2K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4496482944        9.4547443876        9.4384642573
H            11.4375755304       11.3813883436        9.3670349636
H             8.8178089349        8.8657561854        6.8090511406
H             7.0271056042       10.4305969944       10.0818702652
H            10.4847649893        6.9463848800       10.1131569128


     kinetic energy (Ekin) =           0.01200874 Ry
     temperature           =         316.00500795 K 
     Ekin + Etot (const)   =         -12.16349568 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.3246532052

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.65E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       13.5 secs

     total energy              =     -12.17511009 Ry
     estimated scf accuracy    <       0.00000676 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.45E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.5 secs

     total energy              =     -12.17511100 Ry
     estimated scf accuracy    <       0.00000180 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2235  -4.3253  -3.8597  -2.8738

     highest occupied level (ev):    -2.8738

!    total energy              =     -12.17511124 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01968721   -0.03797289   -0.09923801
     atom    2 type  2   force =     0.00050314    0.00288667   -0.01265327
     atom    3 type  2   force =     0.00839468    0.00409364    0.00658675
     atom    4 type  2   force =    -0.01840705    0.00796811    0.01482062
     atom    5 type  2   force =    -0.01017799    0.02302447   -0.05058020

     Total force =     0.125662     Total SCF correction =     0.000198

     Entering Dynamics:    iteration =   258
                           time      =   0.0374 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496374453        9.4550202152        9.4367282505
H            11.4367546168       11.3795871965        9.3645234856
H             8.8164917094        8.8587158242        6.8079438637
H             7.0285152700       10.4313730819       10.0809812262
H            10.4857981709        6.9467034076       10.1031006252


     kinetic energy (Ekin) =           0.01262202 Ry
     temperature           =         332.14333069 K 
     Ekin + Etot (const)   =         -12.16248922 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.3783037932

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.69E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.5 secs

     total energy              =     -12.17470943 Ry
     estimated scf accuracy    <       0.00000719 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.99E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.5 secs

     total energy              =     -12.17471034 Ry
     estimated scf accuracy    <       0.00000202 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.5 secs

     total energy              =     -12.17471058 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2254  -4.3288  -3.8653  -2.8670

     highest occupied level (ev):    -2.8670

!    total energy              =     -12.17471063 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01939811   -0.03854216   -0.10015541
     atom    2 type  2   force =     0.00097028    0.00343646   -0.01281116
     atom    3 type  2   force =     0.00829802    0.00460124    0.00684571
     atom    4 type  2   force =    -0.01879078    0.00804324    0.00930089
     atom    5 type  2   force =    -0.00987563    0.02246121   -0.04024064

     Total force =     0.122198     Total SCF correction =     0.000088

     Entering Dynamics:    iteration =   259
                           time      =   0.0376 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496334162        9.4552824922        9.4349570311
H            11.4359432842       11.3778199825        9.3618855045
H             8.8152564222        8.8517208977        6.8069041844
H             7.0297393875       10.4322285920       10.0801840283
H            10.4867338363        6.9472437270       10.0926469838


     kinetic energy (Ekin) =           0.01318247 Ry
     temperature           =         346.89134143 K 
     Ekin + Etot (const)   =         -12.16152815 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4304521797

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.6 secs

     total energy              =     -12.17430193 Ry
     estimated scf accuracy    <       0.00000707 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.84E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.6 secs

     total energy              =     -12.17430292 Ry
     estimated scf accuracy    <       0.00000202 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.6 secs

     total energy              =     -12.17430315 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.36E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2272  -4.3323  -3.8707  -2.8597

     highest occupied level (ev):    -2.8597

!    total energy              =     -12.17430320 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01900703   -0.03899080   -0.10104957
     atom    2 type  2   force =     0.00142279    0.00398794   -0.01295759
     atom    3 type  2   force =     0.00815581    0.00514813    0.00703411
     atom    4 type  2   force =    -0.01905684    0.00808086    0.00327546
     atom    5 type  2   force =    -0.00952880    0.02177386   -0.02964873

     Total force =     0.119599     Total SCF correction =     0.000087

     Entering Dynamics:    iteration =   260
                           time      =   0.0377 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496360695        9.4555310608        9.4331502849
H            11.4351460009       11.3760921473        9.3591195745
H             8.8141016690        8.8447768061        6.8059339629
H             7.0307753293       10.4331638960       10.0794191738
H            10.4875754101        6.9479990511       10.0819005779


     kinetic energy (Ekin) =           0.01367128 Ry
     temperature           =         359.75400803 K 
     Ekin + Etot (const)   =         -12.16063192 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4811534787

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.7 secs

     total energy              =     -12.17388816 Ry
     estimated scf accuracy    <       0.00000738 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.22E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.7 secs

     total energy              =     -12.17388918 Ry
     estimated scf accuracy    <       0.00000209 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.7 secs

     total energy              =     -12.17388943 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.45E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2290  -4.3358  -3.8761  -2.8525

     highest occupied level (ev):    -2.8525

!    total energy              =     -12.17388948 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01850468   -0.03928434   -0.10190663
     atom    2 type  2   force =     0.00186595    0.00453127   -0.01309811
     atom    3 type  2   force =     0.00799269    0.00569651    0.00716915
     atom    4 type  2   force =    -0.01922467    0.00807776   -0.00318012
     atom    5 type  2   force =    -0.00913865    0.02097880   -0.01913539

     Total force =     0.118105     Total SCF correction =     0.000093

     Entering Dynamics:    iteration =   261
                           time      =   0.0379 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496452286        9.4557658179        9.4313077106
H            11.4343671428       11.3744090557        9.3562243081
H             8.8130258392        8.8378889643        6.8050345328
H             7.0316214384       10.4341789633       10.0786229173
H            10.4883267448        6.9489615291       10.0709652208


     kinetic energy (Ekin) =           0.01407590 Ry
     temperature           =         370.40145840 K 
     Ekin + Etot (const)   =         -12.15981358 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5305592444

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.8 secs

     total energy              =     -12.17346842 Ry
     estimated scf accuracy    <       0.00000759 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.49E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.8 secs

     total energy              =     -12.17346946 Ry
     estimated scf accuracy    <       0.00000213 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.67E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.8 secs

     total energy              =     -12.17346972 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.52E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2309  -4.3394  -3.8814  -2.8453

     highest occupied level (ev):    -2.8453

!    total energy              =     -12.17346977 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01790088   -0.03942976   -0.10272067
     atom    2 type  2   force =     0.00229746    0.00506432   -0.01323336
     atom    3 type  2   force =     0.00781127    0.00624178    0.00725058
     atom    4 type  2   force =    -0.01929974    0.00803760   -0.00996481
     atom    5 type  2   force =    -0.00870987    0.02008606   -0.00896681

     Total force =     0.117819     Total SCF correction =     0.000097

     Entering Dynamics:    iteration =   262
                           time      =   0.0380 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496606814        9.4559867123        9.4294290218
H            11.4336109708       11.3727759715        9.3531983697
H             8.8120271413        8.8310627566        6.8042066981
H             7.0322769734       10.4352733974       10.0777282640
H            10.4889920745        6.9501223457       10.0599413214


     kinetic energy (Ekin) =           0.01439123 Ry
     temperature           =         378.69912301 K 
     Ekin + Etot (const)   =         -12.15907855 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5788941511

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.28E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.9 secs

     total energy              =     -12.17304279 Ry
     estimated scf accuracy    <       0.00000774 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.67E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.9 secs

     total energy              =     -12.17304384 Ry
     estimated scf accuracy    <       0.00000216 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.70E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.9 secs

     total energy              =     -12.17304411 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.57E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2328  -4.3430  -3.8867  -2.8380

     highest occupied level (ev):    -2.8380

!    total energy              =     -12.17304416 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01720611   -0.03943415   -0.10348718
     atom    2 type  2   force =     0.00271517    0.00558458   -0.01336376
     atom    3 type  2   force =     0.00761481    0.00677969    0.00727828
     atom    4 type  2   force =    -0.01928879    0.00796422   -0.01695041
     atom    5 type  2   force =    -0.00824730    0.01910566    0.00064270

     Total force =     0.118706     Total SCF correction =     0.000100

     Entering Dynamics:    iteration =   263
                           time      =   0.0382 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496821834        9.4561937426        9.4275139491
H            11.4328816096       11.3711980318        9.3500404717
H             8.8111036353        8.8243034945        6.8034507322
H             7.0327420424       10.4364464737       10.0766662348
H            10.4895759668        6.9514718199       10.0489237683


     kinetic energy (Ekin) =           0.01461921 Ry
     temperature           =         384.69849809 K 
     Ekin + Etot (const)   =         -12.15842495 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.6264282957

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       13.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.9 secs

     total energy              =     -12.17261115 Ry
     estimated scf accuracy    <       0.00000781 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.77E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       13.9 secs

     total energy              =     -12.17261220 Ry
     estimated scf accuracy    <       0.00000217 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.71E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       13.9 secs

     total energy              =     -12.17261248 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2347  -4.3467  -3.8919  -2.8308

     highest occupied level (ev):    -2.8308

!    total energy              =     -12.17261253 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01643147   -0.03930481   -0.10420268
     atom    2 type  2   force =     0.00311697    0.00608955   -0.01348967
     atom    3 type  2   force =     0.00740663    0.00730611    0.00725229
     atom    4 type  2   force =    -0.01919929    0.00786172   -0.02398314
     atom    5 type  2   force =    -0.00775578    0.01804743    0.00953373

     Total force =     0.120603     Total SCF correction =     0.000102

     Entering Dynamics:    iteration =   264
                           time      =   0.0383 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497094624        9.4563869541        9.4255622410
H            11.4321830268       11.3696802230        9.3467493708
H             8.8102532657        8.8176163762        6.8027663787
H             7.0330175291       10.4376971801       10.0753673856
H            10.4900832751        6.9529995024       10.0380003554


     kinetic energy (Ekin) =           0.01476816 Ry
     temperature           =         388.61788535 K 
     Ekin + Etot (const)   =         -12.15784437 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.6734476397

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.0 secs

     total energy              =     -12.17217319 Ry
     estimated scf accuracy    <       0.00000782 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.78E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.0 secs

     total energy              =     -12.17217423 Ry
     estimated scf accuracy    <       0.00000216 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.70E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.0 secs

     total energy              =     -12.17217451 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2366  -4.3505  -3.8969  -2.8236

     highest occupied level (ev):    -2.8236

!    total energy              =     -12.17217456 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01558840   -0.03904917   -0.10486476
     atom    2 type  2   force =     0.00350078    0.00657677   -0.01361135
     atom    3 type  2   force =     0.00719006    0.00781707    0.00717286
     atom    4 type  2   force =    -0.01903923    0.00773433   -0.03088767
     atom    5 type  2   force =    -0.00724000    0.01692100    0.01760112

     Total force =     0.123265     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   265
                           time      =   0.0385 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497422219        9.4565664367        9.4235736647
H            11.4315190121       11.3682273562        9.3433238654
H             8.8094738938        8.8110064470        6.8021528531
H             7.0331050142       10.4390242586       10.0737635380
H            10.4905190924        6.9546942702       10.0272507438


     kinetic energy (Ekin) =           0.01485152 Ry
     temperature           =         390.81168657 K 
     Ekin + Etot (const)   =         -12.15732304 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7202250013

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.1 secs

     total energy              =     -12.17172848 Ry
     estimated scf accuracy    <       0.00000777 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.72E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.1 secs

     total energy              =     -12.17172950 Ry
     estimated scf accuracy    <       0.00000214 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.67E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.1 secs

     total energy              =     -12.17172978 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2385  -4.3542  -3.9018  -2.8165

     highest occupied level (ev):    -2.8165

!    total energy              =     -12.17172983 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01468845   -0.03867465   -0.10547198
     atom    2 type  2   force =     0.00386455    0.00704384   -0.01372903
     atom    3 type  2   force =     0.00696837    0.00830885    0.00704041
     atom    4 type  2   force =    -0.01881682    0.00758632   -0.03747323
     atom    5 type  2   force =    -0.00670456    0.01573563    0.02479006

     Total force =     0.126408     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   266
                           time      =   0.0386 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497801456        9.4567323222        9.4215480066
H            11.4308931577       11.3668440433        9.3397627935
H             8.8087633308        8.8044785630        6.8016088477
H             7.0330066938       10.4404262479       10.0717896633
H            10.4908887060        6.9565444186       10.0167459201


     kinetic energy (Ekin) =           0.01488650 Ry
     temperature           =         391.73201314 K 
     Ekin + Etot (const)   =         -12.15684334 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7669937941

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.2 secs

     total energy              =     -12.17127655 Ry
     estimated scf accuracy    <       0.00000769 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.61E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.2 secs

     total energy              =     -12.17127754 Ry
     estimated scf accuracy    <       0.00000211 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.2 secs

     total energy              =     -12.17127782 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2404  -4.3580  -3.9064  -2.8095

     highest occupied level (ev):    -2.8095

!    total energy              =     -12.17127788 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01374301   -0.03818856   -0.10602377
     atom    2 type  2   force =     0.00420632    0.00748840   -0.01384286
     atom    3 type  2   force =     0.00674471    0.00877803    0.00685556
     atom    4 type  2   force =    -0.01854023    0.00742185   -0.04354176
     atom    5 type  2   force =    -0.00615382    0.01450029    0.03108966

     Total force =     0.129741     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   267
                           time      =   0.0388 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4498229010        9.4568847814        9.4194850729
H            11.4303088384       11.3655346741        9.3360650311
H             8.8081193680        8.7980373571        6.8011325370
H             7.0327252990       10.4419015238       10.0693858382
H            10.4911975541        6.9585377491       10.0065480894


     kinetic energy (Ekin) =           0.01489236 Ry
     temperature           =         391.88627554 K 
     Ekin + Etot (const)   =         -12.15638552 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8139263439

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.08E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.3 secs

     total energy              =     -12.17081697 Ry
     estimated scf accuracy    <       0.00000758 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.47E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.3 secs

     total energy              =     -12.17081793 Ry
     estimated scf accuracy    <       0.00000207 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.3 secs

     total energy              =     -12.17081822 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2423  -4.3619  -3.9109  -2.8025

     highest occupied level (ev):    -2.8025

!    total energy              =     -12.17081827 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01276308   -0.03759944   -0.10652120
     atom    2 type  2   force =     0.00452404    0.00790896   -0.01395307
     atom    3 type  2   force =     0.00652281    0.00922169    0.00661915
     atom    4 type  2   force =    -0.01821832    0.00724533   -0.04889662
     atom    5 type  2   force =    -0.00559162    0.01322346    0.03652527

     Total force =     0.132996     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   268
                           time      =   0.0389 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4498701436        9.4570240214        9.4173846886
H            11.4297691914       11.3643034014        9.3322294900
H             8.8075398143        8.7916872103        6.8007215867
H             7.0322640086       10.4434483432       10.0664991866
H            10.4914511881        6.9606616539        9.9967109252


     kinetic energy (Ekin) =           0.01488885 Ry
     temperature           =         391.79402335 K 
     Ekin + Etot (const)   =         -12.15592941 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8611181506

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.4 secs

     total energy              =     -12.17034949 Ry
     estimated scf accuracy    <       0.00000746 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.33E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.4 secs

     total energy              =     -12.17035043 Ry
     estimated scf accuracy    <       0.00000203 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.54E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.4 secs

     total energy              =     -12.17035070 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2442  -4.3657  -3.9152  -2.7956

     highest occupied level (ev):    -2.7956

!    total energy              =     -12.17035076 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01175860   -0.03691149   -0.10696297
     atom    2 type  2   force =     0.00481623    0.00830178   -0.01405957
     atom    3 type  2   force =     0.00630375    0.00963674    0.00633224
     atom    4 type  2   force =    -0.01785597    0.00705932   -0.05335695
     atom    5 type  2   force =    -0.00502261    0.01191365    0.04114956

     Total force =     0.135943     Total SCF correction =     0.000102

     Entering Dynamics:    iteration =   269
                           time      =   0.0390 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4499215204        9.4571502841        9.4152466984
H            11.4292771020       11.3631541041        9.3282551185
H             8.8070225066        8.7854322209        6.8003731638
H             7.0316264005       10.4450648694       10.0630856649
H            10.4916552266        6.9629031993        9.9872800898


     kinetic energy (Ekin) =           0.01489464 Ry
     temperature           =         391.94615535 K 
     Ekin + Etot (const)   =         -12.15545612 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9085789301

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.4 secs

     total energy              =     -12.16987411 Ry
     estimated scf accuracy    <       0.00000735 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.19E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.4 secs

     total energy              =     -12.16987502 Ry
     estimated scf accuracy    <       0.00000200 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.4 secs

     total energy              =     -12.16987529 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2460  -4.3696  -3.9192  -2.7889

     highest occupied level (ev):    -2.7889

!    total energy              =     -12.16987535 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01073908   -0.03613286   -0.10735094
     atom    2 type  2   force =     0.00508099    0.00866568   -0.01416241
     atom    3 type  2   force =     0.00609068    0.01002109    0.00599599
     atom    4 type  2   force =    -0.01746052    0.00686746   -0.05676267
     atom    5 type  2   force =    -0.00445022    0.01057863    0.04503487

     Total force =     0.138398     Total SCF correction =     0.000102

     Entering Dynamics:    iteration =   270
                           time      =   0.0392 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4499766727        9.4572638433        9.4130709659
H            11.4288351845       11.3620903756        9.3241409012
H             8.8065653409        8.7792761841        6.8000839479
H             7.0308163797       10.4467492080       10.0591116438
H            10.4918153218        6.9652492027        9.9782939485


     kinetic energy (Ekin) =           0.01492590 Ry
     temperature           =         392.76896322 K 
     Ekin + Etot (const)   =         -12.15494944 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9562307124

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.72E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.5 secs

     total energy              =     -12.16939121 Ry
     estimated scf accuracy    <       0.00000726 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.07E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.5 secs

     total energy              =     -12.16939210 Ry
     estimated scf accuracy    <       0.00000198 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.5 secs

     total energy              =     -12.16939237 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2479  -4.3735  -3.9230  -2.7823

     highest occupied level (ev):    -2.7823

!    total energy              =     -12.16939242 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00971274   -0.03527004   -0.10768612
     atom    2 type  2   force =     0.00531671    0.00899878   -0.01426158
     atom    3 type  2   force =     0.00588561    0.01037281    0.00561187
     atom    4 type  2   force =    -0.01703708    0.00667236   -0.05898803
     atom    5 type  2   force =    -0.00387798    0.00922609    0.04826488

     Total force =     0.140232     Total SCF correction =     0.000101

     Entering Dynamics:    iteration =   271
                           time      =   0.0393 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500352399        9.4573650023        9.4108573733
H            11.4284457664       11.3611155049        9.3198858588
H             8.8061662923        8.7732225730        6.7998501461
H             7.0298381272       10.4484994324       10.0545551491
H            10.4919371240        6.9676863086        9.9697843957


     kinetic energy (Ekin) =           0.01499531 Ry
     temperature           =         394.59542870 K 
     Ekin + Etot (const)   =         -12.15439711 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0039127378

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.6 secs

     total energy              =     -12.16890163 Ry
     estimated scf accuracy    <       0.00000720 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.00E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.6 secs

     total energy              =     -12.16890251 Ry
     estimated scf accuracy    <       0.00000196 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.45E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.6 secs

     total energy              =     -12.16890277 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2497  -4.3774  -3.9266  -2.7757

     highest occupied level (ev):    -2.7757

!    total energy              =     -12.16890282 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00868653   -0.03432924   -0.10796949
     atom    2 type  2   force =     0.00552189    0.00929936   -0.01435709
     atom    3 type  2   force =     0.00569020    0.01069040    0.00518159
     atom    4 type  2   force =    -0.01658943    0.00647599   -0.05994876
     atom    5 type  2   force =    -0.00330918    0.00786348    0.05092778

     Total force =     0.141370     Total SCF correction =     0.000099

     Entering Dynamics:    iteration =   272
                           time      =   0.0395 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500968610        9.4574540919        9.4086058209
H            11.4281108740       11.3602324603        9.3154890482
H             8.8058234312        8.7672745236        6.7996675096
H             7.0286960634       10.4503136035       10.0494066939
H            10.4920262499        6.9702010620        9.9617777261


     kinetic energy (Ekin) =           0.01511124 Ry
     temperature           =         397.64596517 K 
     Ekin + Etot (const)   =         -12.15379159 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0513924164

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.7 secs

     total energy              =     -12.16840675 Ry
     estimated scf accuracy    <       0.00000717 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.97E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.7 secs

     total energy              =     -12.16840762 Ry
     estimated scf accuracy    <       0.00000196 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.45E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.7 secs

     total energy              =     -12.16840789 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2515  -4.3812  -3.9299  -2.7694

     highest occupied level (ev):    -2.7694

!    total energy              =     -12.16840794 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00766609   -0.03331645   -0.10820185
     atom    2 type  2   force =     0.00569516    0.00956591   -0.01444893
     atom    3 type  2   force =     0.00550568    0.01097270    0.00470715
     atom    4 type  2   force =    -0.01612004    0.00627968   -0.05960764
     atom    5 type  2   force =    -0.00274688    0.00649816    0.05311033

     Total force =     0.141791     Total SCF correction =     0.000097

     Entering Dynamics:    iteration =   273
                           time      =   0.0396 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4501611774        9.4575314681        9.4063162270
H            11.4278322179       11.3594438736        9.3109495626
H             8.8055349356        8.7614348234        6.7995313535
H             7.0273948234       10.4521897830       10.0436696469
H            10.4920882518        6.9727799810        9.9542954913


     kinetic energy (Ekin) =           0.01527745 Ry
     temperature           =         402.01980656 K 
     Ekin + Etot (const)   =         -12.15313049 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0983812121

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.8 secs

     total energy              =     -12.16790854 Ry
     estimated scf accuracy    <       0.00000719 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.99E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.8 secs

     total energy              =     -12.16790940 Ry
     estimated scf accuracy    <       0.00000197 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.8 secs

     total energy              =     -12.16790967 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2533  -4.3851  -3.9329  -2.7632

     highest occupied level (ev):    -2.7632

!    total energy              =     -12.16790972 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00665570   -0.03223749   -0.10838367
     atom    2 type  2   force =     0.00583533    0.00979705   -0.01453719
     atom    3 type  2   force =     0.00533290    0.01121888    0.00419086
     atom    4 type  2   force =    -0.01562998    0.00608413   -0.05797697
     atom    5 type  2   force =    -0.00219395    0.00513742    0.05489289

     Total force =     0.141530     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   274
                           time      =   0.0398 pico-seconds


     Velocity rescaling: T ( 402.0K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4502190769        9.4575869753        9.4043002625
H            11.4276491223       11.3588593956        9.3068845943
H             8.8053383789        8.7565009952        6.7994551178
H             7.0261164135       10.4538705926       10.0381412252
H            10.4921201481        6.9750585021        9.9483740205


     kinetic energy (Ekin) =           0.01157580 Ry
     temperature           =         304.61245247 K 
     Ekin + Etot (const)   =         -12.15633392 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7195237701

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.86E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       14.8 secs

     total energy              =     -12.16747977 Ry
     estimated scf accuracy    <       0.00000574 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.17E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.8 secs

     total energy              =     -12.16748046 Ry
     estimated scf accuracy    <       0.00000143 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.78E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2546  -4.3882  -3.9350  -2.7576

     highest occupied level (ev):    -2.7576

!    total energy              =     -12.16748069 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00579321   -0.03126086   -0.10849858
     atom    2 type  2   force =     0.00591662    0.00996757   -0.01459779
     atom    3 type  2   force =     0.00518163    0.01140685    0.00367221
     atom    4 type  2   force =    -0.01516521    0.00591816   -0.05679507
     atom    5 type  2   force =    -0.00172625    0.00396828    0.05589794

     Total force =     0.141190     Total SCF correction =     0.000181

     Entering Dynamics:    iteration =   275
                           time      =   0.0399 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4502790132        9.4576314919        9.4022461522
H            11.4275244500       11.3583733418        9.3026754810
H             8.8051929878        8.7516798032        6.7994151432
H             7.0246882558       10.4556098409       10.0320519840
H            10.4921349986        6.9773762077        9.9430045105


     kinetic energy (Ekin) =           0.01181748 Ry
     temperature           =         310.97215320 K 
     Ekin + Etot (const)   =         -12.15566320 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7649241526

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       14.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.45E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       14.9 secs

     total energy              =     -12.16705452 Ry
     estimated scf accuracy    <       0.00000640 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.00E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       14.9 secs

     total energy              =     -12.16705520 Ry
     estimated scf accuracy    <       0.00000154 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.9 secs

     total energy              =     -12.16705545 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       14.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2561  -4.3914  -3.9373  -2.7531

     highest occupied level (ev):    -2.7531

!    total energy              =     -12.16705547 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00494985   -0.03020385   -0.10853651
     atom    2 type  2   force =     0.00598034    0.01008728   -0.01468455
     atom    3 type  2   force =     0.00507460    0.01152587    0.00319118
     atom    4 type  2   force =    -0.01472571    0.00575061   -0.05442993
     atom    5 type  2   force =    -0.00127907    0.00284009    0.05661692

     Total force =     0.140238     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   276
                           time      =   0.0401 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4503406897        9.4576653894        9.4001538828
H            11.4274588302       11.3579868942        9.2983213660
H             8.8050977056        8.7469724227        6.7994066797
H             7.0231146900       10.4574058731       10.0254252778
H            10.4921372190        6.9797219575        9.9381940608


     kinetic energy (Ekin) =           0.01211486 Ry
     temperature           =         318.79751963 K 
     Ekin + Etot (const)   =         -12.15494061 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8095799380

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.01E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       15.0 secs

     total energy              =     -12.16663542 Ry
     estimated scf accuracy    <       0.00000590 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.38E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.0 secs

     total energy              =     -12.16663614 Ry
     estimated scf accuracy    <       0.00000149 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.86E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2573  -4.3943  -3.9389  -2.7478

     highest occupied level (ev):    -2.7478

!    total energy              =     -12.16663636 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00412516   -0.02911673   -0.10856589
     atom    2 type  2   force =     0.00598664    0.01017976   -0.01473108
     atom    3 type  2   force =     0.00494904    0.01164298    0.00259228
     atom    4 type  2   force =    -0.01421633    0.00558461   -0.05091651
     atom    5 type  2   force =    -0.00084451    0.00170938    0.05716607

     Total force =     0.138824     Total SCF correction =     0.000178

     Entering Dynamics:    iteration =   277
                           time      =   0.0402 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4504038166        9.4576890501        9.3980234439
H            11.4274523250       11.3577009661        9.2938217900
H             8.8050512924        8.7423800101        6.7994238135
H             7.0214007458       10.4592570503       10.0182957997
H            10.4921311004        6.9820845866        9.9339480939


     kinetic energy (Ekin) =           0.01245920 Ry
     temperature           =         327.85869786 K 
     Ekin + Etot (const)   =         -12.15417716 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8531358181

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.1 secs

     total energy              =     -12.16622533 Ry
     estimated scf accuracy    <       0.00000642 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.02E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.1 secs

     total energy              =     -12.16622600 Ry
     estimated scf accuracy    <       0.00000171 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.1 secs

     total energy              =     -12.16622625 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2587  -4.3972  -3.9407  -2.7437

     highest occupied level (ev):    -2.7437

!    total energy              =     -12.16622629 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00332629   -0.02797606   -0.10851132
     atom    2 type  2   force =     0.00597533    0.01022503   -0.01480730
     atom    3 type  2   force =     0.00486231    0.01169932    0.00203789
     atom    4 type  2   force =    -0.01372904    0.00542024   -0.04644110
     atom    5 type  2   force =    -0.00043489    0.00063147    0.05743131

     Total force =     0.136990     Total SCF correction =     0.000079

     Entering Dynamics:    iteration =   278
                           time      =   0.0403 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4504681129        9.4577028750        9.3958548548
H            11.4275048228       11.3575160045        9.2891760001
H             8.8050528917        8.7379031216        6.7994610703
H             7.0195512351       10.4611617493       10.0107077417
H            10.4921206874        6.9844534510        9.9302692290


     kinetic energy (Ekin) =           0.01283985 Ry
     temperature           =         337.87537226 K 
     Ekin + Etot (const)   =         -12.15338644 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8952756285

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.2 secs

     total energy              =     -12.16582753 Ry
     estimated scf accuracy    <       0.00000608 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.60E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.2 secs

     total energy              =     -12.16582825 Ry
     estimated scf accuracy    <       0.00000167 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.2 secs

     total energy              =     -12.16582848 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2598  -4.3999  -3.9420  -2.7394

     highest occupied level (ev):    -2.7394

!    total energy              =     -12.16582852 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00253943   -0.02680036   -0.10841479
     atom    2 type  2   force =     0.00592310    0.01023662   -0.01486619
     atom    3 type  2   force =     0.00477389    0.01172857    0.00141772
     atom    4 type  2   force =    -0.01319392    0.00525297   -0.04111615
     atom    5 type  2   force =    -0.00004249   -0.00041780    0.05745050

     Total force =     0.134888     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   279
                           time      =   0.0405 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4505333020        9.4577072775        9.3936481493
H            11.4276158079       11.3574321236        9.2843834149
H             8.8051016306        8.7335420462        6.7995123263
H             7.0175714419       10.4631183184       10.0027136850
H            10.4921098549        6.9868181899        9.9271576554


     kinetic energy (Ekin) =           0.01324545 Ry
     temperature           =         348.54847815 K 
     Ekin + Etot (const)   =         -12.15258307 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9357417723

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.29E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.3 secs

     total energy              =     -12.16544565 Ry
     estimated scf accuracy    <       0.00000628 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.85E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.3 secs

     total energy              =     -12.16544639 Ry
     estimated scf accuracy    <       0.00000174 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.3 secs

     total energy              =     -12.16544663 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.45E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2609  -4.4023  -3.9431  -2.7354

     highest occupied level (ev):    -2.7354

!    total energy              =     -12.16544667 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00176885   -0.02559165   -0.10826883
     atom    2 type  2   force =     0.00583528    0.01020956   -0.01492337
     atom    3 type  2   force =     0.00469748    0.01172249    0.00077342
     atom    4 type  2   force =    -0.01262893    0.00508348   -0.03512897
     atom    5 type  2   force =     0.00032733   -0.00142388    0.05715849

     Total force =     0.132627     Total SCF correction =     0.000086

     Entering Dynamics:    iteration =   280
                           time      =   0.0406 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4505991131        9.4577026825        9.3914033789
H            11.4277844131       11.3574490565        9.2794434699
H             8.8051967544        8.7292967237        6.7995712194
H             7.0154669451       10.4651250840        9.9943727493
H            10.4921022545        6.9891688688        9.9246104899


     kinetic energy (Ekin) =           0.01366419 Ry
     temperature           =         359.56761102 K 
     Ekin + Etot (const)   =         -12.15178247 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9743514289

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.3 secs

     total energy              =     -12.16508348 Ry
     estimated scf accuracy    <       0.00000645 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.06E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.3 secs

     total energy              =     -12.16508425 Ry
     estimated scf accuracy    <       0.00000179 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.24E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.3 secs

     total energy              =     -12.16508449 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2618  -4.4045  -3.9439  -2.7317

     highest occupied level (ev):    -2.7317

!    total energy              =     -12.16508453 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00101297   -0.02435350   -0.10807124
     atom    2 type  2   force =     0.00571251    0.01014444   -0.01497797
     atom    3 type  2   force =     0.00463055    0.01168232    0.00010636
     atom    4 type  2   force =    -0.01202973    0.00490924   -0.02866732
     atom    5 type  2   force =     0.00067370   -0.00238250    0.05649125

     Total force =     0.130305     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   281
                           time      =   0.0408 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4506652802        9.4576895254        9.3891206128
H            11.4280094260       11.3575661601        9.2743556259
H             8.8053376023        8.7251667576        6.7996311627
H             7.0132436614       10.4671803257        9.9857487399
H            10.4921013066        6.9914960217        9.9226211436


     kinetic energy (Ekin) =           0.01408520 Ry
     temperature           =         370.64607804 K 
     Ekin + Etot (const)   =         -12.15099933 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0110092125

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.4 secs

     total energy              =     -12.16474484 Ry
     estimated scf accuracy    <       0.00000660 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.25E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.4 secs

     total energy              =     -12.16474563 Ry
     estimated scf accuracy    <       0.00000185 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.4 secs

     total energy              =     -12.16474586 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2625  -4.4065  -3.9444  -2.7283

     highest occupied level (ev):    -2.7283

!    total energy              =     -12.16474591 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00026973   -0.02309051   -0.10782172
     atom    2 type  2   force =     0.00555515    0.01004164   -0.01503002
     atom    3 type  2   force =     0.00457173    0.01160938   -0.00058025
     atom    4 type  2   force =    -0.01139220    0.00472833   -0.02191889
     atom    5 type  2   force =     0.00099559   -0.00328884    0.05536827

     Total force =     0.127994     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   282
                           time      =   0.0409 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4507315422        9.4576682501        9.3867999390
H            11.4282892930       11.3577824191        9.2691193688
H             8.8055235935        8.7211514276        6.7996853765
H             7.0109078862       10.4692822570        9.9769082939
H            10.4921101896        6.9937906993        9.9211785280


     kinetic energy (Ekin) =           0.01449890 Ry
     temperature           =         381.53243449 K 
     Ekin + Etot (const)   =         -12.15024701 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0457157501

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.82E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.5 secs

     total energy              =     -12.16443336 Ry
     estimated scf accuracy    <       0.00000673 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.42E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.5 secs

     total energy              =     -12.16443417 Ry
     estimated scf accuracy    <       0.00000190 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.5 secs

     total energy              =     -12.16443440 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2631  -4.4082  -3.9447  -2.7251

     highest occupied level (ev):    -2.7251

!    total energy              =     -12.16443445 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00046300   -0.02180722   -0.10752019
     atom    2 type  2   force =     0.00536377    0.00990173   -0.01507961
     atom    3 type  2   force =     0.00451948    0.01150522   -0.00128303
     atom    4 type  2   force =    -0.01071245    0.00453879   -0.01506342
     atom    5 type  2   force =     0.00129220   -0.00413851    0.05369473

     Total force =     0.125735     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   283
                           time      =   0.0411 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4507976414        9.4576393078        9.3844414634
H            11.4286221241       11.3580964522        9.2637342090
H             8.8057542120        8.7172497050        6.7997269210
H             7.0084663315       10.4714290063        9.9679191050
H            10.4921318323        6.9960445113        9.9202661176


     kinetic energy (Ekin) =           0.01489742 Ry
     temperature           =         392.01953679 K 
     Ekin + Etot (const)   =         -12.14953702 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0785721505

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.94E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.6 secs

     total energy              =     -12.16415235 Ry
     estimated scf accuracy    <       0.00000685 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.56E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.6 secs

     total energy              =     -12.16415317 Ry
     estimated scf accuracy    <       0.00000194 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.42E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.6 secs

     total energy              =     -12.16415341 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2635  -4.4096  -3.9447  -2.7223

     highest occupied level (ev):    -2.7223

!    total energy              =     -12.16415345 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00118725   -0.02050810   -0.10716691
     atom    2 type  2   force =     0.00513917    0.00972548   -0.01512682
     atom    3 type  2   force =     0.00447214    0.01137161   -0.00199852
     atom    4 type  2   force =    -0.00998709    0.00433874   -0.00826532
     atom    5 type  2   force =     0.00156302   -0.00492772    0.05136480

     Total force =     0.123539     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =   284
                           time      =   0.0412 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4508633232        9.4576031554        9.3820453101
H            11.4290057018       11.3585065188        9.2581996804
H             8.8060289904        8.7134602708        6.7997487312
H             7.0059261599       10.4736185982        9.9588483008
H            10.4921689090        6.9982496648        9.9198609058


     kinetic energy (Ekin) =           0.01527467 Ry
     temperature           =         401.94652175 K 
     Ekin + Etot (const)   =         -12.14887878 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.1097804552

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.7 secs

     total energy              =     -12.16390461 Ry
     estimated scf accuracy    <       0.00000694 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.68E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.7 secs

     total energy              =     -12.16390544 Ry
     estimated scf accuracy    <       0.00000198 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.7 secs

     total energy              =     -12.16390567 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.52E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2638  -4.4107  -3.9444  -2.7199

     highest occupied level (ev):    -2.7199

!    total energy              =     -12.16390571 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00190486   -0.01919741   -0.10676270
     atom    2 type  2   force =     0.00488232    0.00951384   -0.01517173
     atom    3 type  2   force =     0.00442798    0.01121056   -0.00272322
     atom    4 type  2   force =    -0.00921335    0.00412644   -0.00166813
     atom    5 type  2   force =     0.00180791   -0.00565344    0.04826632

     Total force =     0.121397     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =   285
                           time      =   0.0414 pico-seconds


     Velocity rescaling: T ( 401.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4509193977        9.4575651729        9.3799376758
H            11.4293852946       11.3589547299        9.2532684454
H             8.8063101024        8.7102971784        6.7997406833
H             7.0036406632       10.4755509896        9.9509953263
H            10.4922187926        7.0000989296        9.9199874357


     kinetic energy (Ekin) =           0.01168272 Ry
     temperature           =         307.42603466 K 
     Ekin + Etot (const)   =         -12.15222299 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7144081028

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.57E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       15.8 secs

     total energy              =     -12.16372707 Ry
     estimated scf accuracy    <       0.00000551 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.89E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.8 secs

     total energy              =     -12.16372775 Ry
     estimated scf accuracy    <       0.00000143 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.78E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2639  -4.4114  -3.9438  -2.7178

     highest occupied level (ev):    -2.7178

!    total energy              =     -12.16372794 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00252195   -0.01805637   -0.10641195
     atom    2 type  2   force =     0.00461148    0.00928834   -0.01517961
     atom    3 type  2   force =     0.00439316    0.01105251   -0.00337110
     atom    4 type  2   force =    -0.00847253    0.00392703    0.00277620
     atom    5 type  2   force =     0.00198983   -0.00621151    0.04419486

     Total force =     0.119320     Total SCF correction =     0.000144

     Entering Dynamics:    iteration =   286
                           time      =   0.0415 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4509745855        9.4575208422        9.3777926293
H            11.4298104232       11.3594946581        9.2481873203
H             8.8066345944        8.7072432234        6.7996993478
H             7.0012715051       10.4775221583        9.9431697652
H            10.4922883247        7.0018868591        9.9205503650


     kinetic energy (Ekin) =           0.01197299 Ry
     temperature           =         315.06434119 K 
     Ekin + Etot (const)   =         -12.15175495 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.7436676753

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.91E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.8 secs

     total energy              =     -12.16358598 Ry
     estimated scf accuracy    <       0.00000584 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.29E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.9 secs

     total energy              =     -12.16358658 Ry
     estimated scf accuracy    <       0.00000161 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.02E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.9 secs

     total energy              =     -12.16358679 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2637  -4.4117  -3.9432  -2.7166

     highest occupied level (ev):    -2.7166

!    total energy              =     -12.16358682 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00312554   -0.01691727   -0.10591547
     atom    2 type  2   force =     0.00434717    0.00904766   -0.01524319
     atom    3 type  2   force =     0.00435437    0.01085850   -0.00398953
     atom    4 type  2   force =    -0.00772990    0.00372043    0.00694107
     atom    5 type  2   force =     0.00215391   -0.00670932    0.03911557

     Total force =     0.117053     Total SCF correction =     0.000117

     Entering Dynamics:    iteration =   287
                           time      =   0.0417 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4510286745        9.4574705638        9.3756103452
H            11.4302784776       11.3601239269        9.2429556774
H             8.8070020834        8.7042964900        6.7996186178
H             6.9988260185       10.4795300641        9.9354127433
H            10.4923791253        7.0036085379        9.9214995387


     kinetic energy (Ekin) =           0.01225386 Ry
     temperature           =         322.45513136 K 
     Ekin + Etot (const)   =         -12.15133297 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.7731207620

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       15.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.9 secs

     total energy              =     -12.16348067 Ry
     estimated scf accuracy    <       0.00000535 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.69E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       15.9 secs

     total energy              =     -12.16348130 Ry
     estimated scf accuracy    <       0.00000154 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       15.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2636  -4.4119  -3.9421  -2.7153

     highest occupied level (ev):    -2.7153

!    total energy              =     -12.16348149 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00372599   -0.01577423   -0.10547370
     atom    2 type  2   force =     0.00401154    0.00875787   -0.01524479
     atom    3 type  2   force =     0.00431888    0.01065644   -0.00464117
     atom    4 type  2   force =    -0.00688931    0.00349089    0.01089594
     atom    5 type  2   force =     0.00228487   -0.00713097    0.03296220

     Total force =     0.114836     Total SCF correction =     0.000179

     Entering Dynamics:    iteration =   288
                           time      =   0.0418 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4510814535        9.4574147395        9.3733909788
H            11.4307861438       11.3608396747        9.2375735007
H             8.8074122189        8.7014549829        6.7994920588
H             6.9963125039       10.4815724405        9.9277633128
H            10.4924924879        7.0052598024        9.9227741955


     kinetic energy (Ekin) =           0.01252064 Ry
     temperature           =         329.47557867 K 
     Ekin + Etot (const)   =         -12.15096084 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8032319612

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.0 secs

     total energy              =     -12.16340943 Ry
     estimated scf accuracy    <       0.00000609 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.61E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.0 secs

     total energy              =     -12.16341002 Ry
     estimated scf accuracy    <       0.00000167 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.0 secs

     total energy              =     -12.16341023 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2629  -4.4114  -3.9410  -2.7147

     highest occupied level (ev):    -2.7147

!    total energy              =     -12.16341026 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00432371   -0.01462942   -0.10489205
     atom    2 type  2   force =     0.00369722    0.00845415   -0.01530322
     atom    3 type  2   force =     0.00427403    0.01042793   -0.00526305
     atom    4 type  2   force =    -0.00605150    0.00325465    0.01448068
     atom    5 type  2   force =     0.00240396   -0.00750730    0.02565297

     Total force =     0.112633     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =   289
                           time      =   0.0419 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4511327123        9.4573537718        9.3711347346
H            11.4313303180       11.3616389025        9.2320402132
H             8.8078645581        8.6987164457        6.7993135303
H             6.9937392341       10.4836469546        9.9202568709
H            10.4926295882        7.0068369365        9.9243021610


     kinetic energy (Ekin) =           0.01276867 Ry
     temperature           =         336.00228138 K 
     Ekin + Etot (const)   =         -12.15064159 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8345118709

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.73E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       16.1 secs

     total energy              =     -12.16336944 Ry
     estimated scf accuracy    <       0.00000575 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.19E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.1 secs

     total energy              =     -12.16337011 Ry
     estimated scf accuracy    <       0.00000150 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2624  -4.4111  -3.9395  -2.7140

     highest occupied level (ev):    -2.7140

!    total energy              =     -12.16337032 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00492046   -0.01348045   -0.10437880
     atom    2 type  2   force =     0.00331212    0.00810078   -0.01529518
     atom    3 type  2   force =     0.00423014    0.01019660   -0.00591359
     atom    4 type  2   force =    -0.00511473    0.00298996    0.01778819
     atom    5 type  2   force =     0.00249294   -0.00780689    0.01718689

     Total force =     0.110826     Total SCF correction =     0.000142

     Entering Dynamics:    iteration =   290
                           time      =   0.0421 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4511822412        9.4572880647        9.3688417931
H            11.4319071974       11.3625181209        9.2263558945
H             8.8083586675        8.6960785943        6.7990766083
H             6.9911154593       10.4857509930        9.9129260773
H            10.4927913049        7.0083369820        9.9259998375


     kinetic energy (Ekin) =           0.01299361 Ry
     temperature           =         341.92155389 K 
     Ekin + Etot (const)   =         -12.15037670 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8675000863

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.24E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.2 secs

     total energy              =     -12.16335710 Ry
     estimated scf accuracy    <       0.00000597 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.46E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.2 secs

     total energy              =     -12.16335769 Ry
     estimated scf accuracy    <       0.00000165 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.2 secs

     total energy              =     -12.16335789 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2614  -4.4101  -3.9378  -2.7139

     highest occupied level (ev):    -2.7139

!    total energy              =     -12.16335792 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00550177   -0.01234074   -0.10373183
     atom    2 type  2   force =     0.00294406    0.00774331   -0.01534945
     atom    3 type  2   force =     0.00417498    0.00994186   -0.00652435
     atom    4 type  2   force =    -0.00419130    0.00272539    0.02066361
     atom    5 type  2   force =     0.00257402   -0.00806982    0.00758536

     Total force =     0.109486     Total SCF correction =     0.000099

     Entering Dynamics:    iteration =   291
                           time      =   0.0422 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4512298359        9.4572180188        9.3665123816
H            11.4325131478       11.3634738003        9.2205200086
H             8.8088940024        8.6935389131        6.7987752621
H             6.9884502977       10.4878819430        9.9057993253
H            10.4929784386        7.0097573425        9.9277724150


     kinetic energy (Ekin) =           0.01319229 Ry
     temperature           =         347.14951774 K 
     Ekin + Etot (const)   =         -12.15016563 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9027443023

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.3 secs

     total energy              =     -12.16336742 Ry
     estimated scf accuracy    <       0.00000544 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.80E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.3 secs

     total energy              =     -12.16336802 Ry
     estimated scf accuracy    <       0.00000156 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2608  -4.4096  -3.9359  -2.7137

     highest occupied level (ev):    -2.7137

!    total energy              =     -12.16336821 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00608374   -0.01119091   -0.10316785
     atom    2 type  2   force =     0.00250713    0.00733830   -0.01533366
     atom    3 type  2   force =     0.00411493    0.00969429   -0.00715569
     atom    4 type  2   force =    -0.00316950    0.00242711    0.02323218
     atom    5 type  2   force =     0.00263118   -0.00826879   -0.00305328

     Total force =     0.109103     Total SCF correction =     0.000171

     Entering Dynamics:    iteration =   292
                           time      =   0.0424 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4512752916        9.4571440384        9.3641466985
H            11.4331438547       11.3645019412        9.2145327114
H             8.8094699700        8.6910949576        6.7984032574
H             6.9857538391       10.4900368594        9.8989019779
H            10.4931915537        7.0110960533        9.9295148431


     kinetic energy (Ekin) =           0.01336339 Ry
     temperature           =         351.65200930 K 
     Ekin + Etot (const)   =         -12.15000482 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9407758595

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.34E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.4 secs

     total energy              =     -12.16339473 Ry
     estimated scf accuracy    <       0.00000610 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.63E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.4 secs

     total energy              =     -12.16339529 Ry
     estimated scf accuracy    <       0.00000166 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.4 secs

     total energy              =     -12.16339550 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2593  -4.4081  -3.9336  -2.7138

     highest occupied level (ev):    -2.7138

!    total energy              =     -12.16339553 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00665847   -0.01004766   -0.10248653
     atom    2 type  2   force =     0.00210029    0.00693204   -0.01537922
     atom    3 type  2   force =     0.00404256    0.00943172   -0.00775689
     atom    4 type  2   force =    -0.00217406    0.00213143    0.02536969
     atom    5 type  2   force =     0.00268968   -0.00844753   -0.01457055

     Total force =     0.109759     Total SCF correction =     0.000098

     Entering Dynamics:    iteration =   293
                           time      =   0.0425 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513184063        9.4570665255        9.3617449834
H            11.4337953008       11.3655985321        9.2083935530
H             8.8100858557        8.6887441350        6.7979546578
H             6.9830359129       10.4922128224        9.8922551420
H            10.4934312278        7.0123513495        9.9311133952


     kinetic energy (Ekin) =           0.01350852 Ry
     temperature           =         355.47099990 K 
     Ekin + Etot (const)   =         -12.14988702 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9820824484

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.71E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.4 secs

     total energy              =     -12.16343251 Ry
     estimated scf accuracy    <       0.00000539 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.74E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.4 secs

     total energy              =     -12.16343308 Ry
     estimated scf accuracy    <       0.00000152 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.90E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2585  -4.4073  -3.9313  -2.7140

     highest occupied level (ev):    -2.7140

!    total energy              =     -12.16343327 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00722988   -0.00888824   -0.10190380
     atom    2 type  2   force =     0.00162211    0.00648085   -0.01535221
     atom    3 type  2   force =     0.00396044    0.00918506   -0.00836971
     atom    4 type  2   force =    -0.00108302    0.00179912    0.02719214
     atom    5 type  2   force =     0.00273034   -0.00857679   -0.02672577

     Total force =     0.111827     Total SCF correction =     0.000165

     Entering Dynamics:    iteration =   294
                           time      =   0.0427 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513589792        9.4569858877        9.3593074410
H            11.4344627644       11.3667591177        9.2021028002
H             8.8107408485        8.6864840098        6.7974234120
H             6.9803072925       10.4944065507        9.8858768132
H            10.4936978626        7.0135219547        9.9324480453


     kinetic energy (Ekin) =           0.01363319 Ry
     temperature           =         358.75178336 K 
     Ekin + Etot (const)   =         -12.14980008 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0270792350

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.27E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.5 secs

     total energy              =     -12.16347355 Ry
     estimated scf accuracy    <       0.00000604 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.56E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.5 secs

     total energy              =     -12.16347407 Ry
     estimated scf accuracy    <       0.00000161 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.5 secs

     total energy              =     -12.16347429 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2568  -4.4057  -3.9285  -2.7141

     highest occupied level (ev):    -2.7141

!    total energy              =     -12.16347432 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00779633   -0.00772760   -0.10122282
     atom    2 type  2   force =     0.00117817    0.00603333   -0.01538601
     atom    3 type  2   force =     0.00386308    0.00893044   -0.00895177
     atom    4 type  2   force =    -0.00002891    0.00147132    0.02859713
     atom    5 type  2   force =     0.00278399   -0.00870748   -0.03921473

     Total force =     0.115140     Total SCF correction =     0.000092

     Entering Dynamics:    iteration =   295
                           time      =   0.0428 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513968110        9.4569025330        9.3568343109
H            11.4351418616       11.3679792791        9.1956601191
H             8.8114339870        8.6843120677        6.7968037725
H             6.9775783865       10.4966148074        9.8797808649
H            10.4939919878        7.0146065785        9.9333954721


     kinetic energy (Ekin) =           0.01374760 Ry
     temperature           =         361.76230080 K 
     Ekin + Etot (const)   =         -12.14972672 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0760800280

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.6 secs

     total energy              =     -12.16351028 Ry
     estimated scf accuracy    <       0.00000533 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.66E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.6 secs

     total energy              =     -12.16351081 Ry
     estimated scf accuracy    <       0.00000147 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.84E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2559  -4.4049  -3.9258  -2.7143

     highest occupied level (ev):    -2.7143

!    total energy              =     -12.16351101 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00835736   -0.00654458   -0.10065702
     atom    2 type  2   force =     0.00066675    0.00554434   -0.01534562
     atom    3 type  2   force =     0.00375198    0.00870235   -0.00954262
     atom    4 type  2   force =     0.00111163    0.00110634    0.02969634
     atom    5 type  2   force =     0.00282701   -0.00880844   -0.05165629

     Total force =     0.119709     Total SCF correction =     0.000162

     Entering Dynamics:    iteration =   296
                           time      =   0.0430 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514317046        9.4568168774        9.3543257919
H            11.4358275426       11.3692541877        9.1890659087
H             8.8121641743        8.6822260563        6.7960899050
H             6.9748604573       10.4988339886        9.8739781513
H            10.4943140280        7.0156042238        9.9338328219


     kinetic energy (Ekin) =           0.01386687 Ry
     temperature           =         364.90096955 K 
     Ekin + Etot (const)   =         -12.14964414 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1292706689

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.7 secs

     total energy              =     -12.16353490 Ry
     estimated scf accuracy    <       0.00000602 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.52E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.7 secs

     total energy              =     -12.16353538 Ry
     estimated scf accuracy    <       0.00000156 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.96E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.7 secs

     total energy              =     -12.16353560 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.45E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2541  -4.4033  -3.9226  -2.7143

     highest occupied level (ev):    -2.7143

!    total energy              =     -12.16353564 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00891686   -0.00534958   -0.10001534
     atom    2 type  2   force =     0.00019380    0.00506347   -0.01536493
     atom    3 type  2   force =     0.00362305    0.00847338   -0.01010081
     atom    4 type  2   force =     0.00220472    0.00074667    0.03040131
     atom    5 type  2   force =     0.00289528   -0.00893394   -0.06363575

     Total force =     0.125009     Total SCF correction =     0.000095

     Entering Dynamics:    iteration =   297
                           time      =   0.0431 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514634631        9.4567293409        9.3517821096
H            11.4365151373       11.3705790953        9.1823199782
H             8.8129301372        8.6802237149        6.7952762976
H             6.9721642985       10.5010605427        9.8684756335
H            10.4946646575        7.0165136514        9.9336418045


     kinetic energy (Ekin) =           0.01401068 Ry
     temperature           =         368.68525618 K 
     Ekin + Etot (const)   =         -12.14952496 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1866870570

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.8 secs

     total energy              =     -12.16353977 Ry
     estimated scf accuracy    <       0.00000531 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.64E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.8 secs

     total energy              =     -12.16354028 Ry
     estimated scf accuracy    <       0.00000143 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.8 secs

     total energy              =     -12.16354047 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2527  -4.4023  -3.9193  -2.7143

     highest occupied level (ev):    -2.7143

!    total energy              =     -12.16354050 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00947020   -0.00412837   -0.09945861
     atom    2 type  2   force =    -0.00032181    0.00455562   -0.01534027
     atom    3 type  2   force =     0.00347672    0.00827249   -0.01065660
     atom    4 type  2   force =     0.00334462    0.00036101    0.03079085
     atom    5 type  2   force =     0.00297066   -0.00906075   -0.07469058

     Total force =     0.130683     Total SCF correction =     0.000071

     Entering Dynamics:    iteration =   298
                           time      =   0.0432 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514918922        9.4566403531        9.3492034598
H            11.4371995543       11.3719489871        9.1754225711
H             8.8137304308        8.6783030596        6.7943574623
H             6.9695011660       10.5032906616        9.8632771580
H            10.4950446206        7.0173336093        9.9327132595


     kinetic energy (Ekin) =           0.01420217 Ry
     temperature           =         373.72434633 K 
     Ekin + Etot (const)   =         -12.14933833 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2482003195

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       16.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.9 secs

     total energy              =     -12.16351764 Ry
     estimated scf accuracy    <       0.00000546 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.83E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       16.9 secs

     total energy              =     -12.16351810 Ry
     estimated scf accuracy    <       0.00000146 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.82E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.9 secs

     total energy              =     -12.16351831 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       16.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2513  -4.4014  -3.9158  -2.7140

     highest occupied level (ev):    -2.7140

!    total energy              =     -12.16351835 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01001954   -0.00288162   -0.09894414
     atom    2 type  2   force =    -0.00084326    0.00403671   -0.01530723
     atom    3 type  2   force =     0.00331123    0.00809512   -0.01119912
     atom    4 type  2   force =     0.00448797   -0.00003891    0.03084897
     atom    5 type  2   force =     0.00306359   -0.00921129   -0.08436848

     Total force =     0.136147     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   299
                           time      =   0.0434 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515167986        9.4565503521        9.3465900234
H            11.4378756446       11.3733587391        9.1683740137
H             8.8145634209        8.6764623391        6.7933280419
H             6.9668823497       10.5055203962        9.8583832988
H            10.4954548350        7.0180626107        9.9309516233


     kinetic energy (Ekin) =           0.01446537 Ry
     temperature           =         380.65017934 K 
     Ekin + Etot (const)   =         -12.14905299 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.3135112959

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.41E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.0 secs

     total energy              =     -12.16346193 Ry
     estimated scf accuracy    <       0.00000559 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.98E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.0 secs

     total energy              =     -12.16346239 Ry
     estimated scf accuracy    <       0.00000148 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.85E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.0 secs

     total energy              =     -12.16346261 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.53E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2500  -4.4008  -3.9120  -2.7135

     highest occupied level (ev):    -2.7135

!    total energy              =     -12.16346265 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01056268   -0.00160744   -0.09848229
     atom    2 type  2   force =    -0.00137513    0.00350795   -0.01526344
     atom    3 type  2   force =     0.00312573    0.00794486   -0.01172703
     atom    4 type  2   force =     0.00563248   -0.00045199    0.03057961
     atom    5 type  2   force =     0.00317960   -0.00939339   -0.09224273

     Total force =     0.140871     Total SCF correction =     0.000070

     Entering Dynamics:    iteration =   300
                           time      =   0.0435 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515379914        9.4564597860        9.3439419627
H            11.4385381562       11.3748031301        9.1611747384
H             8.8154272759        8.6747000696        6.7921828237
H             6.9643191509       10.5077456678        9.8537913960
H            10.4958964463        7.0186988578        9.9282791419


     kinetic energy (Ekin) =           0.01482299 Ry
     temperature           =         390.06083060 K 
     Ekin + Etot (const)   =         -12.14863966 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.3821561477

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.0 secs

     total energy              =     -12.16336707 Ry
     estimated scf accuracy    <       0.00000585 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.31E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.1 secs

     total energy              =     -12.16336753 Ry
     estimated scf accuracy    <       0.00000154 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.1 secs

     total energy              =     -12.16336778 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.69E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2487  -4.4004  -3.9080  -2.7126

     highest occupied level (ev):    -2.7126

!    total energy              =     -12.16336782 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01110183   -0.00030884   -0.09807485
     atom    2 type  2   force =    -0.00191276    0.00297197   -0.01521019
     atom    3 type  2   force =     0.00292141    0.00782601   -0.01224251
     atom    4 type  2   force =     0.00677332   -0.00087692    0.02998471
     atom    5 type  2   force =     0.00331986   -0.00961222   -0.09794769

     Total force =     0.144390     Total SCF correction =     0.000060

     Entering Dynamics:    iteration =   301
                           time      =   0.0437 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515552811        9.4563691113        9.3412594209
H            11.4391817804       11.3762768677        9.1538252711
H             8.8163199782        8.6730150775        6.7909167176
H             6.9618228349       10.5099622802        9.8494955754
H            10.4963708392        7.0192401895        9.9246394821


     kinetic energy (Ekin) =           0.01529324 Ry
     temperature           =         402.43532475 K 
     Ekin + Etot (const)   =         -12.14807458 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.4535235987

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.99E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.1 secs

     total energy              =     -12.16322871 Ry
     estimated scf accuracy    <       0.00000624 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.80E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.1 secs

     total energy              =     -12.16322918 Ry
     estimated scf accuracy    <       0.00000164 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.1 secs

     total energy              =     -12.16322945 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.89E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2475  -4.4004  -3.9039  -2.7115

     highest occupied level (ev):    -2.7115

!    total energy              =     -12.16322950 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01162628    0.00101543   -0.09773421
     atom    2 type  2   force =    -0.00245627    0.00243054   -0.01514652
     atom    3 type  2   force =     0.00269341    0.00773797   -0.01273988
     atom    4 type  2   force =     0.00790291   -0.00131129    0.02906563
     atom    5 type  2   force =     0.00348623   -0.00987264   -0.10120665

     Total force =     0.146357     Total SCF correction =     0.000052

     Entering Dynamics:    iteration =   302
                           time      =   0.0438 pico-seconds


     Velocity rescaling: T ( 402.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4515661214        9.4562911796        9.3389089503
H            11.4397132319       11.3775732945        9.1473301698
H             8.8171173342        8.6716366617        6.7896977610
H             6.9597455499       10.5118631575        9.8460735661
H            10.4968148552        7.0196100891        9.9204976371


     kinetic energy (Ekin) =           0.01188215 Ry
     temperature           =         312.67392831 K 
     Ekin + Etot (const)   =         -12.15134735 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0501799938

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.2 secs

     total energy              =     -12.16306420 Ry
     estimated scf accuracy    <       0.00000516 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.46E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.2 secs

     total energy              =     -12.16306458 Ry
     estimated scf accuracy    <       0.00000131 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.2 secs

     total energy              =     -12.16306481 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2465  -4.4007  -3.9000  -2.7101

     highest occupied level (ev):    -2.7101

!    total energy              =     -12.16306484 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01206605    0.00218932   -0.09750615
     atom    2 type  2   force =    -0.00292708    0.00195861   -0.01508361
     atom    3 type  2   force =     0.00247948    0.00769429   -0.01314576
     atom    4 type  2   force =     0.00885344   -0.00169419    0.02718644
     atom    5 type  2   force =     0.00366021   -0.01014803   -0.10318969

     Total force =     0.147380     Total SCF correction =     0.000046

     Entering Dynamics:    iteration =   303
                           time      =   0.0440 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515727196        9.4562140177        9.3365241985
H            11.4402157801       11.3788890615        9.1406861263
H             8.8179391736        8.6703342226        6.7883489974
H             6.9577556876       10.5137473056        9.8429200076
H            10.4972950137        7.0198797827        9.9153368520


     kinetic energy (Ekin) =           0.01252322 Ry
     temperature           =         329.54324258 K 
     Ekin + Etot (const)   =         -12.15054162 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1250863210

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.3 secs

     total energy              =     -12.16285194 Ry
     estimated scf accuracy    <       0.00000570 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.12E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.3 secs

     total energy              =     -12.16285236 Ry
     estimated scf accuracy    <       0.00000144 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.80E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.3 secs

     total energy              =     -12.16285261 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.62E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2456  -4.4012  -3.8960  -2.7084

     highest occupied level (ev):    -2.7084

!    total energy              =     -12.16285265 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01249614    0.00337869   -0.09735533
     atom    2 type  2   force =    -0.00339732    0.00148556   -0.01500802
     atom    3 type  2   force =     0.00224517    0.00768464   -0.01353301
     atom    4 type  2   force =     0.00978717   -0.00208434    0.02495238
     atom    5 type  2   force =     0.00386112   -0.01046455   -0.10248024

     Total force =     0.146565     Total SCF correction =     0.000053

     Entering Dynamics:    iteration =   304
                           time      =   0.0441 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515749243        9.4561380437        9.3341052188
H            11.4406847817       11.3802194975        9.1338938871
H             8.8187831829        8.6691076651        6.7868666030
H             6.9558624681       10.5156108720        9.8400128398
H            10.4978132985        7.0200461447        9.9091641320


     kinetic energy (Ekin) =           0.01329097 Ry
     temperature           =         349.74624224 K 
     Ekin + Etot (const)   =         -12.14956168 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2010543842

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.4 secs

     total energy              =     -12.16259104 Ry
     estimated scf accuracy    <       0.00000637 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.96E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.4 secs

     total energy              =     -12.16259151 Ry
     estimated scf accuracy    <       0.00000160 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.00E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.4 secs

     total energy              =     -12.16259180 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.82E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2448  -4.4022  -3.8918  -2.7064

     highest occupied level (ev):    -2.7064

!    total energy              =     -12.16259183 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01290814    0.00457987   -0.09727717
     atom    2 type  2   force =    -0.00386512    0.00101284   -0.01492317
     atom    3 type  2   force =     0.00199310    0.00770868   -0.01389760
     atom    4 type  2   force =     0.01069174   -0.00247804    0.02236015
     atom    5 type  2   force =     0.00408842   -0.01082335   -0.09911134

     Total force =     0.143955     Total SCF correction =     0.000061

     Entering Dynamics:    iteration =   305
                           time      =   0.0443 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515725909        9.4560636798        9.3316520384
H            11.4411156173       11.3815599347        9.1269542899
H             8.8196468730        8.6679572266        6.7852469774
H             6.9540748235       10.5174499691        9.8373264659
H            10.4983719542        7.0201056322        9.9020127433


     kinetic energy (Ekin) =           0.01416945 Ry
     temperature           =         372.86325485 K 
     Ekin + Etot (const)   =         -12.14842238 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2772306396

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.99E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.5 secs

     total energy              =     -12.16228199 Ry
     estimated scf accuracy    <       0.00000710 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.87E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.5 secs

     total energy              =     -12.16228253 Ry
     estimated scf accuracy    <       0.00000178 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.5 secs

     total energy              =     -12.16228284 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.03E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2441  -4.4034  -3.8873  -2.7039

     highest occupied level (ev):    -2.7039

!    total energy              =     -12.16228288 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01329722    0.00578381   -0.09727189
     atom    2 type  2   force =    -0.00432864    0.00054208   -0.01482921
     atom    3 type  2   force =     0.00172487    0.00776534   -0.01423757
     atom    4 type  2   force =     0.01156160   -0.00287252    0.01941237
     atom    5 type  2   force =     0.00433938   -0.01121871   -0.09324196

     Total force =     0.139766     Total SCF correction =     0.000068

     Entering Dynamics:    iteration =   306
                           time      =   0.0444 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515655825        9.4559913494        9.3291646593
H            11.4415037100       11.3829057247        9.1198682627
H             8.8205275952        8.6668834664        6.7834867640
H             6.9524013433       10.5192607017        9.8348317782
H            10.4989734588        7.0200543413        9.8939406425


     kinetic energy (Ekin) =           0.01513281 Ry
     temperature           =         398.21370933 K 
     Ekin + Etot (const)   =         -12.14715007 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.3527964007

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.6 secs

     total energy              =     -12.16192683 Ry
     estimated scf accuracy    <       0.00000787 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.83E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.6 secs

     total energy              =     -12.16192741 Ry
     estimated scf accuracy    <       0.00000201 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.51E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.6 secs

     total energy              =     -12.16192777 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.42E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2434  -4.4049  -3.8828  -2.7010

     highest occupied level (ev):    -2.7010

!    total energy              =     -12.16192782 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01365438    0.00698176   -0.09734119
     atom    2 type  2   force =    -0.00478993    0.00007241   -0.01472167
     atom    3 type  2   force =     0.00144150    0.00785206   -0.01455301
     atom    4 type  2   force =     0.01239441   -0.00326690    0.01611710
     atom    5 type  2   force =     0.00460841   -0.01163932   -0.08514565

     Total force =     0.134374     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   307
                           time      =   0.0446 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515537734        9.4559214737        9.3266430571
H            11.4418445049       11.3842522297        9.1126368672
H             8.8214225514        8.6658872409        6.7815828476
H             6.9508502509       10.5210391754        9.8324962379
H            10.4996204689        7.0198881186        9.8850277763


     kinetic energy (Ekin) =           0.01614764 Ry
     temperature           =         424.91854358 K 
     Ekin + Etot (const)   =         -12.14578017 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.4270112775

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.41E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.7 secs

     total energy              =     -12.16152896 Ry
     estimated scf accuracy    <       0.00000865 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.7 secs

     total energy              =     -12.16152963 Ry
     estimated scf accuracy    <       0.00000221 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.7 secs

     total energy              =     -12.16153002 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.52E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2429  -4.4068  -3.8780  -2.6979

     highest occupied level (ev):    -2.6979

!    total energy              =     -12.16153006 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01398325    0.00815485   -0.09747636
     atom    2 type  2   force =    -0.00523733   -0.00039003   -0.01461161
     atom    3 type  2   force =     0.00114700    0.00796808   -0.01483808
     atom    4 type  2   force =     0.01317938   -0.00365310    0.01249219
     atom    5 type  2   force =     0.00489421   -0.01207981   -0.07519023

     Total force =     0.128282     Total SCF correction =     0.000091

     Entering Dynamics:    iteration =   308
                           time      =   0.0447 pico-seconds


     Velocity rescaling: T ( 424.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4515389347        9.4558656277        9.3244900139
H            11.4420791416       11.3853797772        9.1064164161
H             8.8221858629        8.6651288442        6.7798365669
H             6.9496770868       10.5224974632        9.8306571568
H            10.5002124457        7.0196291688        9.8767962918


     kinetic energy (Ekin) =           0.01219582 Ry
     temperature           =         320.92793655 K 
     Ekin + Etot (const)   =         -12.14933425 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9459189791

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.78E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.8 secs

     total energy              =     -12.16115834 Ry
     estimated scf accuracy    <       0.00000686 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.58E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.8 secs

     total energy              =     -12.16115888 Ry
     estimated scf accuracy    <       0.00000173 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.16E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.8 secs

     total energy              =     -12.16115918 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2424  -4.4085  -3.8738  -2.6949

     highest occupied level (ev):    -2.6949

!    total energy              =     -12.16115923 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01421783    0.00910279   -0.09765526
     atom    2 type  2   force =    -0.00560203   -0.00076773   -0.01451532
     atom    3 type  2   force =     0.00089439    0.00809006   -0.01503673
     atom    4 type  2   force =     0.01378063   -0.00396597    0.00805381
     atom    5 type  2   force =     0.00514483   -0.01245915   -0.06718456

     Total force =     0.123784     Total SCF correction =     0.000067

     Entering Dynamics:    iteration =   309
                           time      =   0.0448 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515190973        9.4558129822        9.3223026371
H            11.4422584614       11.3864997439        9.1000526342
H             8.8229580061        8.6644503322        6.7779418069
H             6.9486399986       10.5239165892        9.8288976025
H            10.5008552249        7.0192471920        9.8679013975


     kinetic energy (Ekin) =           0.01306545 Ry
     temperature           =         343.81184423 K 
     Ekin + Etot (const)   =         -12.14809378 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0164118856

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.8 secs

     total energy              =     -12.16075417 Ry
     estimated scf accuracy    <       0.00000738 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.23E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.8 secs

     total energy              =     -12.16075476 Ry
     estimated scf accuracy    <       0.00000188 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.8 secs

     total energy              =     -12.16075509 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.18E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2421  -4.4105  -3.8696  -2.6916

     highest occupied level (ev):    -2.6916

!    total energy              =     -12.16075514 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01440322    0.01000270   -0.09790385
     atom    2 type  2   force =    -0.00595795   -0.00114245   -0.01440439
     atom    3 type  2   force =     0.00063110    0.00823474   -0.01521636
     atom    4 type  2   force =     0.01433592   -0.00426976    0.00330739
     atom    5 type  2   force =     0.00539416   -0.01282523   -0.05785860

     Total force =     0.119217     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   310
                           time      =   0.0450 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514941960        9.4557638533        9.3200808395
H            11.4423789497       11.3876084295        9.0935466171
H             8.8237363811        8.6638531337        6.7758967939
H             6.9477444696       10.5252935538        9.8271707069
H            10.5015512683        7.0187385732        9.8584351820


     kinetic energy (Ekin) =           0.01392520 Ry
     temperature           =         366.43587118 K 
     Ekin + Etot (const)   =         -12.14682994 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0854894896

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       17.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.96E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.9 secs

     total energy              =     -12.16032057 Ry
     estimated scf accuracy    <       0.00000797 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.97E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       17.9 secs

     total energy              =     -12.16032124 Ry
     estimated scf accuracy    <       0.00000205 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.9 secs

     total energy              =     -12.16032158 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.37E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       17.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2418  -4.4127  -3.8652  -2.6881

     highest occupied level (ev):    -2.6881

!    total energy              =     -12.16032164 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01454441    0.01084797   -0.09820569
     atom    2 type  2   force =    -0.00630035   -0.00150641   -0.01429016
     atom    3 type  2   force =     0.00036721    0.00839933   -0.01535202
     atom    4 type  2   force =     0.01483043   -0.00455860   -0.00168464
     atom    5 type  2   force =     0.00564713   -0.01318229   -0.04760255

     Total force =     0.115071     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   311
                           time      =   0.0451 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514641812        9.4557185384        9.3178245148
H            11.4424372256       11.3887022401        9.0868994926
H             8.8245183820        8.6633388738        6.7737001883
H             6.9469953827       10.5266255047        9.8254271764
H            10.5023030740        7.0180997867        9.8484989181


     kinetic energy (Ekin) =           0.01474850 Ry
     temperature           =         388.10072983 K 
     Ekin + Etot (const)   =         -12.14557314 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1528415294

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.0 secs

     total energy              =     -12.15986200 Ry
     estimated scf accuracy    <       0.00000836 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.05E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.0 secs

     total energy              =     -12.15986274 Ry
     estimated scf accuracy    <       0.00000217 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.71E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.0 secs

     total energy              =     -12.15986309 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2415  -4.4151  -3.8607  -2.6843

     highest occupied level (ev):    -2.6843

!    total energy              =     -12.15986316 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01462402    0.01162050   -0.09857175
     atom    2 type  2   force =    -0.00662861   -0.00186227   -0.01416638
     atom    3 type  2   force =     0.00010212    0.00857759   -0.01545651
     atom    4 type  2   force =     0.01526172   -0.00482936   -0.00684797
     atom    5 type  2   force =     0.00588878   -0.01350646   -0.03676296

     Total force =     0.111793     Total SCF correction =     0.000074

     Entering Dynamics:    iteration =   312
                           time      =   0.0453 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4514290249        9.4556773090        9.3155335344
H            11.4424300477       11.3897776619        9.0801124831
H             8.8253013913        8.6629093128        6.7713509584
H             6.9463969968       10.5279097685        9.8236160261
H            10.5031130280        7.0173276316        9.8381996405


     kinetic energy (Ekin) =           0.01551333 Ry
     temperature           =         408.22683099 K 
     Ekin + Etot (const)   =         -12.14434983 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2182678984

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.82E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.1 secs

     total energy              =     -12.15938334 Ry
     estimated scf accuracy    <       0.00000881 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.1 secs

     total energy              =     -12.15938413 Ry
     estimated scf accuracy    <       0.00000229 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.1 secs

     total energy              =     -12.15938450 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.62E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2413  -4.4176  -3.8561  -2.6803

     highest occupied level (ev):    -2.6803

!    total energy              =     -12.15938457 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01464014    0.01230782   -0.09899412
     atom    2 type  2   force =    -0.00694046   -0.00220739   -0.01403593
     atom    3 type  2   force =    -0.00015956    0.00876706   -0.01552336
     atom    4 type  2   force =     0.01562404   -0.00507813   -0.01209271
     atom    5 type  2   force =     0.00611613   -0.01378936   -0.02570197

     Total force =     0.109717     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   313
                           time      =   0.0454 pico-seconds


     Velocity rescaling: T ( 408.2K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4513937398        9.4556462920        9.3135347765
H            11.4423553612       11.3906777755        9.0741556907
H             8.8259710542        8.6626276394        6.7691837856
H             6.9460383062       10.5289605659        9.8219440003
H            10.5038677583        7.0165295358        9.8291167443


     kinetic energy (Ekin) =           0.01194775 Ry
     temperature           =         314.40000041 K 
     Ekin + Etot (const)   =         -12.14743682 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8176806306

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.69E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       18.2 secs

     total energy              =     -12.15895908 Ry
     estimated scf accuracy    <       0.00000730 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.13E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.2 secs

     total energy              =     -12.15895980 Ry
     estimated scf accuracy    <       0.00000167 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.2 secs

     total energy              =     -12.15896009 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.69E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2411  -4.4197  -3.8522  -2.6768

     highest occupied level (ev):    -2.6768

!    total energy              =     -12.15896014 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01458392    0.01279971   -0.09942453
     atom    2 type  2   force =    -0.00718760   -0.00248450   -0.01392280
     atom    3 type  2   force =    -0.00037083    0.00893147   -0.01551815
     atom    4 type  2   force =     0.01584476   -0.00526075   -0.01775226
     atom    5 type  2   force =     0.00629760   -0.01398593   -0.01755447

     Total force =     0.109414     Total SCF correction =     0.000096

     Entering Dynamics:    iteration =   314
                           time      =   0.0456 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513533274        9.4556197752        9.3115010631
H            11.4422097012       11.3915533561        9.0680614184
H             8.8266370553        8.6624341593        6.7668633798
H             6.9458360738       10.5299594163        9.8200966809
H            10.5046846737        7.0155933368        9.8198605077


     kinetic energy (Ekin) =           0.01248472 Ry
     temperature           =         328.53012738 K 
     Ekin + Etot (const)   =         -12.14647543 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8796531868

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.3 secs

     total energy              =     -12.15852359 Ry
     estimated scf accuracy    <       0.00000677 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.47E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.3 secs

     total energy              =     -12.15852429 Ry
     estimated scf accuracy    <       0.00000176 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.3 secs

     total energy              =     -12.15852455 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.80E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2410  -4.4220  -3.8482  -2.6730

     highest occupied level (ev):    -2.6730

!    total energy              =     -12.15852460 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01445560    0.01320237   -0.09989858
     atom    2 type  2   force =    -0.00741973   -0.00276648   -0.01378773
     atom    3 type  2   force =    -0.00058401    0.00910153   -0.01550835
     atom    4 type  2   force =     0.01601507   -0.00542414   -0.02330626
     atom    5 type  2   force =     0.00644428   -0.01411327   -0.00942229

     Total force =     0.109991     Total SCF correction =     0.000062

     Entering Dynamics:    iteration =   315
                           time      =   0.0457 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513078326        9.4555979000        9.3094322275
H            11.4419907755       11.3924016192        9.0618310000
H             8.8272972896        8.6623305516        6.7643898378
H             6.9457919811       10.5309047064        9.8180192252
H            10.5055652228        7.0145177772        9.8105112311


     kinetic energy (Ekin) =           0.01297739 Ry
     temperature           =         341.49463497 K 
     Ekin + Etot (const)   =         -12.14554721 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9407960809

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.27E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.4 secs

     total energy              =     -12.15807969 Ry
     estimated scf accuracy    <       0.00000743 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.29E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.4 secs

     total energy              =     -12.15808040 Ry
     estimated scf accuracy    <       0.00000187 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.34E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.4 secs

     total energy              =     -12.15808069 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.93E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2408  -4.4243  -3.8442  -2.6692

     highest occupied level (ev):    -2.6692

!    total energy              =     -12.15808075 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01425085    0.01346139   -0.10041528
     atom    2 type  2   force =    -0.00762904   -0.00301736   -0.01366535
     atom    3 type  2   force =    -0.00077720    0.00927799   -0.01544466
     atom    4 type  2   force =     0.01608868   -0.00554790   -0.02860522
     atom    5 type  2   force =     0.00656841   -0.01417412   -0.00151696

     Total force =     0.111360     Total SCF correction =     0.000069

     Entering Dynamics:    iteration =   316
                           time      =   0.0459 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4512573276        9.4555807576        9.3073280880
H            11.4416965173       11.3932200876        9.0554656439
H             8.8279498495        8.6623185588        6.7617637884
H             6.9459067551       10.5317952140        9.8156593091
H            10.5065106312        7.0133022562        9.8011469754


     kinetic energy (Ekin) =           0.01342691 Ry
     temperature           =         353.32363412 K 
     Ekin + Etot (const)   =         -12.14465384 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0010905865

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.33E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.5 secs

     total energy              =     -12.15763024 Ry
     estimated scf accuracy    <       0.00000749 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.37E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.5 secs

     total energy              =     -12.15763099 Ry
     estimated scf accuracy    <       0.00000190 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.5 secs

     total energy              =     -12.15763128 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2407  -4.4266  -3.8401  -2.6652

     highest occupied level (ev):    -2.6652

!    total energy              =     -12.15763134 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01396436    0.01361600   -0.10098727
     atom    2 type  2   force =    -0.00781728   -0.00326154   -0.01353043
     atom    3 type  2   force =    -0.00095748    0.00944744   -0.01534317
     atom    4 type  2   force =     0.01608116   -0.00564080   -0.03350753
     atom    5 type  2   force =     0.00665796   -0.01416109    0.00601305

     Total force =     0.113373     Total SCF correction =     0.000067

     Entering Dynamics:    iteration =   317
                           time      =   0.0460 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4512019130        9.4555684022        9.3051884436
H            11.4413250679       11.3940063502        9.0489666824
H             8.8285929548        8.6623998542        6.7589862338
H             6.9461803215       10.5326300219        9.8129685249
H            10.5075217833        7.0119469023        9.7918420953


     kinetic energy (Ekin) =           0.01383829 Ry
     temperature           =         364.14887309 K 
     Ekin + Etot (const)   =         -12.14379305 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0605286151

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.48E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.6 secs

     total energy              =     -12.15717783 Ry
     estimated scf accuracy    <       0.00000767 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.58E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.6 secs

     total energy              =     -12.15717861 Ry
     estimated scf accuracy    <       0.00000195 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.44E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.6 secs

     total energy              =     -12.15717891 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.97E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2406  -4.4289  -3.8361  -2.6611

     highest occupied level (ev):    -2.6611

!    total energy              =     -12.15717897 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01359342    0.01364397   -0.10160861
     atom    2 type  2   force =    -0.00798318   -0.00349109   -0.01339048
     atom    3 type  2   force =    -0.00111993    0.00961039   -0.01520130
     atom    4 type  2   force =     0.01598515   -0.00569683   -0.03787238
     atom    5 type  2   force =     0.00671138   -0.01406645    0.01304738

     Total force =     0.115804     Total SCF correction =     0.000067

     Entering Dynamics:    iteration =   318
                           time      =   0.0462 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4511417193        9.4555608438        9.3030130757
H            11.4408747890       11.3947581402        9.0423354975
H             8.8292250014        8.6625760467        6.7560585750
H             6.9466117324       10.5334085769        9.8099037722
H            10.5085992065        7.0104526502        9.7826660507


     kinetic energy (Ekin) =           0.01421936 Ry
     temperature           =         374.17655696 K 
     Ekin + Etot (const)   =         -12.14295961 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1191000049

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.7 secs

     total energy              =     -12.15672491 Ry
     estimated scf accuracy    <       0.00000781 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.77E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.7 secs

     total energy              =     -12.15672570 Ry
     estimated scf accuracy    <       0.00000199 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.7 secs

     total energy              =     -12.15672601 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.00E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2404  -4.4311  -3.8321  -2.6570

     highest occupied level (ev):    -2.6570

!    total energy              =     -12.15672607 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01313412    0.01354884   -0.10227379
     atom    2 type  2   force =    -0.00812851   -0.00371009   -0.01324252
     atom    3 type  2   force =    -0.00126242    0.00976228   -0.01502306
     atom    4 type  2   force =     0.01580017   -0.00571576   -0.04156834
     atom    5 type  2   force =     0.00672488   -0.01388528    0.01949652

     Total force =     0.118415     Total SCF correction =     0.000065

     Entering Dynamics:    iteration =   319
                           time      =   0.0463 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4510769078        9.4555580489        9.3008017506
H            11.4403442457       11.3954732952        9.0355735501
H             8.8298445824        8.6628486363        6.7529825719
H             6.9471991609       10.5341306919        9.8064285554
H            10.5097430341        7.0088212887        9.7736825232


     kinetic energy (Ekin) =           0.01457981 Ry
     temperature           =         383.66166019 K 
     Ekin + Etot (const)   =         -12.14214626 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1767818638

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.75E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.8 secs

     total energy              =     -12.15627371 Ry
     estimated scf accuracy    <       0.00000800 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.8 secs

     total energy              =     -12.15627452 Ry
     estimated scf accuracy    <       0.00000204 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.8 secs

     total energy              =     -12.15627483 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.04E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2403  -4.4333  -3.8281  -2.6529

     highest occupied level (ev):    -2.6529

!    total energy              =     -12.15627489 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01258780    0.01331937   -0.10300008
     atom    2 type  2   force =    -0.00824635   -0.00391045   -0.01308873
     atom    3 type  2   force =    -0.00138404    0.00990050   -0.01479966
     atom    4 type  2   force =     0.01552069   -0.00569323   -0.04447033
     atom    5 type  2   force =     0.00669751   -0.01361619    0.02530839

     Total force =     0.120996     Total SCF correction =     0.000066

     Entering Dynamics:    iteration =   320
                           time      =   0.0464 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4510076708        9.4555599368        9.2985542128
H            11.4397322742       11.3961498366        9.0286823589
H             8.8304504967        8.6632189877        6.7497604305
H             6.9479398476       10.5347965895        9.8025142191
H            10.5109529959        7.0070554751        9.7649489019


     kinetic energy (Ekin) =           0.01492999 Ry
     temperature           =         392.87644797 K 
     Ekin + Etot (const)   =         -12.14134490 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2335309128

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.8 secs

     total energy              =     -12.15582629 Ry
     estimated scf accuracy    <       0.00000816 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.8 secs

     total energy              =     -12.15582711 Ry
     estimated scf accuracy    <       0.00000208 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.8 secs

     total energy              =     -12.15582744 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.08E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2402  -4.4355  -3.8242  -2.6487

     highest occupied level (ev):    -2.6487

!    total energy              =     -12.15582750 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01195362    0.01294450   -0.10376128
     atom    2 type  2   force =    -0.00834060   -0.00409280   -0.01293494
     atom    3 type  2   force =    -0.00148045    0.01002597   -0.01453868
     atom    4 type  2   force =     0.01514766   -0.00562725   -0.04648883
     atom    5 type  2   force =     0.00662701   -0.01325042    0.03044847

     Total force =     0.123343     Total SCF correction =     0.000066

     Entering Dynamics:    iteration =   321
                           time      =   0.0466 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4509342311        9.4555663757        9.2962701948
H            11.4390379440       11.3967859640        9.0216634424
H             8.8310417923        8.6636883400        6.7463947279
H             6.9488301089       10.5354069212        9.7981408318
H            10.5122283957        7.0051588210        9.7565159421


     kinetic energy (Ekin) =           0.01527980 Ry
     temperature           =         402.08164531 K 
     Ekin + Etot (const)   =         -12.14054769 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2892794737

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       18.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.9 secs

     total energy              =     -12.15538455 Ry
     estimated scf accuracy    <       0.00000831 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.9 secs

     total energy              =     -12.15538538 Ry
     estimated scf accuracy    <       0.00000212 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       18.9 secs

     total energy              =     -12.15538572 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.13E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       18.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2401  -4.4376  -3.8202  -2.6446

     highest occupied level (ev):    -2.6446

!    total energy              =     -12.15538578 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01123132    0.01243275   -0.10456497
     atom    2 type  2   force =    -0.00840978   -0.00425858   -0.01277712
     atom    3 type  2   force =    -0.00155201    0.01013395   -0.01423904
     atom    4 type  2   force =     0.01468100   -0.00551811   -0.04755125
     atom    5 type  2   force =     0.00651211   -0.01279002    0.03490996

     Total force =     0.125325     Total SCF correction =     0.000067

     Entering Dynamics:    iteration =   322
                           time      =   0.0467 pico-seconds


     Velocity rescaling: T ( 402.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4508668467        9.4555763086        9.2942605412
H            11.4383551531       11.3972933875        9.0154744708
H             8.8315372169        8.6641938246        6.7433468963
H             6.9497440661       10.5358796257        9.7938936423
H            10.5133943649        7.0033942336        9.7495764303


     kinetic energy (Ekin) =           0.01168914 Ry
     temperature           =         307.59481505 K 
     Ekin + Etot (const)   =         -12.14369664 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8921104120

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.72E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.0 secs

     total energy              =     -12.15501149 Ry
     estimated scf accuracy    <       0.00000636 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.95E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.0 secs

     total energy              =     -12.15501211 Ry
     estimated scf accuracy    <       0.00000163 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.0 secs

     total energy              =     -12.15501237 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2400  -4.4393  -3.8169  -2.6411

     highest occupied level (ev):    -2.6411

!    total energy              =     -12.15501241 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.01052345    0.01185424   -0.10529693
     atom    2 type  2   force =    -0.00844403   -0.00438338   -0.01263992
     atom    3 type  2   force =    -0.00158713    0.01020903   -0.01393839
     atom    4 type  2   force =     0.01418523   -0.00537947   -0.04888440
     atom    5 type  2   force =     0.00636939   -0.01230042    0.03732723

     Total force =     0.126866     Total SCF correction =     0.000061

     Entering Dynamics:    iteration =   323
                           time      =   0.0469 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4507957624        9.4555904092        9.2922138675
H            11.4375889821       11.3977575275        9.0091606872
H             8.8320169695        8.6648001176        6.7401614310
H             6.9507980945       10.5362992110        9.7891637469
H            10.5146232282        7.0015081864        9.7430055039


     kinetic energy (Ekin) =           0.01202512 Ry
     temperature           =         316.43613645 K 
     Ekin + Etot (const)   =         -12.14298729 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9460456912

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.1 secs

     total energy              =     -12.15464656 Ry
     estimated scf accuracy    <       0.00000655 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.19E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.1 secs

     total energy              =     -12.15464718 Ry
     estimated scf accuracy    <       0.00000168 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.10E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.1 secs

     total energy              =     -12.15464745 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2398  -4.4410  -3.8136  -2.6377

     highest occupied level (ev):    -2.6377

!    total energy              =     -12.15464750 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00973066    0.01114507   -0.10606956
     atom    2 type  2   force =    -0.00845199   -0.00449131   -0.01249663
     atom    3 type  2   force =    -0.00159706    0.01026205   -0.01360525
     atom    4 type  2   force =     0.01359751   -0.00519799   -0.04918995
     atom    5 type  2   force =     0.00618219   -0.01171782    0.03921414

     Total force =     0.127888     Total SCF correction =     0.000064

     Entering Dynamics:    iteration =   324
                           time      =   0.0470 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4507212570        9.4556084281        9.2901299021
H            11.4367393525       11.3981773185        9.0027235063
H             8.8324809520        8.6655077426        6.7368416215
H             6.9519863908       10.5366674690        9.7839481283
H            10.5159131372        6.9995064323        9.7368217952


     kinetic energy (Ekin) =           0.01239880 Ry
     temperature           =         326.26926426 K 
     Ekin + Etot (const)   =         -12.14224870 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9995918749

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.08E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.2 secs

     total energy              =     -12.15429012 Ry
     estimated scf accuracy    <       0.00000679 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.49E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.2 secs

     total energy              =     -12.15429075 Ry
     estimated scf accuracy    <       0.00000174 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.2 secs

     total energy              =     -12.15429104 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.77E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2397  -4.4425  -3.8103  -2.6344

     highest occupied level (ev):    -2.6344

!    total energy              =     -12.15429108 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00885777    0.01030793   -0.10687826
     atom    2 type  2   force =    -0.00843374   -0.00458114   -0.01235040
     atom    3 type  2   force =    -0.00158076    0.01029338   -0.01323702
     atom    4 type  2   force =     0.01291995   -0.00497313   -0.04845539
     atom    5 type  2   force =     0.00595232   -0.01104704    0.04058177

     Total force =     0.128374     Total SCF correction =     0.000068

     Entering Dynamics:    iteration =   325
                           time      =   0.0472 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4506436374        9.4556300711        9.2880083605
H            11.4358064444       11.3985518732        8.9961643721
H             8.8329293253        8.6663170089        6.7333911038
H             6.9533022642       10.5369866202        9.7782540399
H            10.5172618220        6.9973955948        9.7310388086


     kinetic energy (Ekin) =           0.01281031 Ry
     temperature           =         337.09804648 K 
     Ekin + Etot (const)   =         -12.14148077 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0525581019

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.3 secs

     total energy              =     -12.15394229 Ry
     estimated scf accuracy    <       0.00000705 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.82E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.3 secs

     total energy              =     -12.15394294 Ry
     estimated scf accuracy    <       0.00000180 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.3 secs

     total energy              =     -12.15394324 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.84E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2396  -4.4440  -3.8071  -2.6312

     highest occupied level (ev):    -2.6312

!    total energy              =     -12.15394328 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00790874    0.00934796   -0.10772012
     atom    2 type  2   force =    -0.00838932   -0.00465266   -0.01220159
     atom    3 type  2   force =    -0.00153866    0.01030224   -0.01283526
     atom    4 type  2   force =     0.01215546   -0.00470572   -0.04670350
     atom    5 type  2   force =     0.00568126   -0.01029182    0.04144302

     Total force =     0.128353     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   326
                           time      =   0.0473 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4505632373        9.4556550006        9.2858489468
H            11.4347906965       11.3988804856        8.9894847541
H             8.8333625054        8.6672280041        6.7298138452
H             6.9547381661       10.5372593050        9.7720987808
H            10.5186666059        6.9951831314        9.7256650487


     kinetic energy (Ekin) =           0.01325696 Ry
     temperature           =         348.85129284 K 
     Ekin + Etot (const)   =         -12.14068633 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1047499918

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.4 secs

     total energy              =     -12.15360328 Ry
     estimated scf accuracy    <       0.00000735 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.18E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.4 secs

     total energy              =     -12.15360395 Ry
     estimated scf accuracy    <       0.00000188 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.34E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.4 secs

     total energy              =     -12.15360426 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.93E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2395  -4.4454  -3.8038  -2.6282

     highest occupied level (ev):    -2.6282

!    total energy              =     -12.15360431 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00688852    0.00827139   -0.10859165
     atom    2 type  2   force =    -0.00831885   -0.00470568   -0.01205059
     atom    3 type  2   force =    -0.00147161    0.01028816   -0.01240164
     atom    4 type  2   force =     0.01130800   -0.00439710   -0.04399165
     atom    5 type  2   force =     0.00537097   -0.00945676    0.04180795

     Total force =     0.127887     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   327
                           time      =   0.0475 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4504804153        9.4556828382        9.2836513546
H            11.4336928047       11.3991626320        8.9826861432
H             8.8337811541        8.6682405891        6.7261141275
H             6.9562857281       10.5374885708        9.7655091288
H            10.5201244253        6.9928772877        9.7207041187


     kinetic energy (Ekin) =           0.01373346 Ry
     temperature           =         361.39027555 K 
     Ekin + Etot (const)   =         -12.13987085 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.1559834359

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.86E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.5 secs

     total energy              =     -12.15327343 Ry
     estimated scf accuracy    <       0.00000766 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.57E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.5 secs

     total energy              =     -12.15327411 Ry
     estimated scf accuracy    <       0.00000195 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.44E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.5 secs

     total energy              =     -12.15327444 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2394  -4.4467  -3.8006  -2.6253

     highest occupied level (ev):    -2.6253

!    total energy              =     -12.15327449 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00580296    0.00708546   -0.10948887
     atom    2 type  2   force =    -0.00822256   -0.00474008   -0.01189779
     atom    3 type  2   force =    -0.00138088    0.01025090   -0.01193795
     atom    4 type  2   force =     0.01038253   -0.00404915   -0.04040828
     atom    5 type  2   force =     0.00502387   -0.00854713    0.04168255

     Total force =     0.127065     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   328
                           time      =   0.0476 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4503955531        9.4557131669        9.2814152684
H            11.4325137197       11.3993979728        8.9757700483
H             8.8341861674        8.6693543960        6.7222965291
H             6.9579358118       10.5376778536        9.7585204678
H            10.5216318525        6.9904870460        9.7161547804


     kinetic energy (Ekin) =           0.01423249 Ry
     temperature           =         374.52208051 K 
     Ekin + Etot (const)   =         -12.13904200 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2060980469

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.68E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.6 secs

     total energy              =     -12.15295315 Ry
     estimated scf accuracy    <       0.00000799 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.99E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.6 secs

     total energy              =     -12.15295386 Ry
     estimated scf accuracy    <       0.00000203 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.54E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.6 secs

     total energy              =     -12.15295420 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2393  -4.4480  -3.7973  -2.6226

     highest occupied level (ev):    -2.6226

!    total energy              =     -12.15295425 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00465826    0.00579774   -0.11040749
     atom    2 type  2   force =    -0.00810075   -0.00475563   -0.01174370
     atom    3 type  2   force =    -0.00126815    0.01019079   -0.01144601
     atom    4 type  2   force =     0.00938476   -0.00366433   -0.03606721
     atom    5 type  2   force =     0.00464239   -0.00756858    0.04106799

     Total force =     0.125998     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =   329
                           time      =   0.0477 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4503090532        9.4557455340        9.2791403653
H            11.4312546444       11.3995863545        8.9687379909
H             8.8345786585        8.6705688312        6.7183659079
H             6.9596785647       10.5378309532        9.7511756634
H            10.5231851208        6.9880220687        9.7120109655


     kinetic energy (Ekin) =           0.01474531 Ry
     temperature           =         388.01673814 K 
     Ekin + Etot (const)   =         -12.13820894 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.2549693139

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.00E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.7 secs

     total energy              =     -12.15264302 Ry
     estimated scf accuracy    <       0.00000832 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.7 secs

     total energy              =     -12.15264375 Ry
     estimated scf accuracy    <       0.00000212 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.7 secs

     total energy              =     -12.15264410 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.18E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2392  -4.4492  -3.7940  -2.6201

     highest occupied level (ev):    -2.6201

!    total energy              =     -12.15264416 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00346276    0.00441832   -0.11134248
     atom    2 type  2   force =    -0.00795397   -0.00475258   -0.01158841
     atom    3 type  2   force =    -0.00113545    0.01010750   -0.01092812
     atom    4 type  2   force =     0.00832190   -0.00324533   -0.03110251
     atom    5 type  2   force =     0.00423028   -0.00652791    0.03996144

     Total force =     0.124805     Total SCF correction =     0.000086

     Entering Dynamics:    iteration =   330
                           time      =   0.0479 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4502213358        9.4557794544        9.2768263166
H            11.4299170280       11.3997278072        8.9615915046
H             8.8349599376        8.6718830723        6.7143273777
H             6.9615034917       10.5379520069        9.7435237391
H            10.5247801607        6.9854926321        9.7082617472


     kinetic energy (Ekin) =           0.01526250 Ry
     temperature           =         401.62627027 K 
     Ekin + Etot (const)   =         -12.13738166 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.3025186583

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.8 secs

     total energy              =     -12.15234366 Ry
     estimated scf accuracy    <       0.00000864 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.8 secs

     total energy              =     -12.15234440 Ry
     estimated scf accuracy    <       0.00000220 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.75E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.8 secs

     total energy              =     -12.15234477 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.27E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2391  -4.4503  -3.7907  -2.6178

     highest occupied level (ev):    -2.6178

!    total energy              =     -12.15234483 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00222420    0.00295622   -0.11228918
     atom    2 type  2   force =    -0.00778269   -0.00473072   -0.01143244
     atom    3 type  2   force =    -0.00098507    0.01000187   -0.01038628
     atom    4 type  2   force =     0.00720121   -0.00279540   -0.02565924
     atom    5 type  2   force =     0.00379075   -0.00543198    0.03835593

     Total force =     0.123605     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   331
                           time      =   0.0480 pico-seconds


     Velocity rescaling: T ( 401.6K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4501447424        9.4558098101        9.2747868746
H            11.4286841163       11.3998033473        8.9553021200
H             8.8352797387        8.6731176947        6.7107344374
H             6.9631518298       10.5380290271        9.7366570378
H            10.5261961378        6.9832528774        9.7054001527


     kinetic energy (Ekin) =           0.01181288 Ry
     temperature           =         310.85105362 K 
     Ekin + Etot (const)   =         -12.14053195 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8972896246

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       19.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.9 secs

     total energy              =     -12.15209857 Ry
     estimated scf accuracy    <       0.00000674 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.42E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.9 secs

     total energy              =     -12.15209913 Ry
     estimated scf accuracy    <       0.00000171 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.14E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       19.9 secs

     total energy              =     -12.15209942 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.77E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       19.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2390  -4.4512  -3.7878  -2.6161

     highest occupied level (ev):    -2.6161

!    total energy              =     -12.15209947 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =    -0.00112273    0.00161904   -0.11311220
     atom    2 type  2   force =    -0.00761128   -0.00469190   -0.01130090
     atom    3 type  2   force =    -0.00083981    0.00989196   -0.00989208
     atom    4 type  2   force =     0.00618467   -0.00237799   -0.02183941
     atom    5 type  2   force =     0.00338914   -0.00444110    0.03565269

     Total force =     0.122579     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   332
                           time      =   0.0482 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500677541        9.4558407351        9.2727076648
H            11.4273760475       11.3998325576        8.9489011454
H             8.8355912473        8.6744499947        6.7070438184
H             6.9648612381       10.5380825659        9.7295746846
H            10.5276455807        6.9809692694        9.7028906084


     kinetic energy (Ekin) =           0.01225561 Ry
     temperature           =         322.50119769 K 
     Ekin + Etot (const)   =         -12.13984386 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9426464595

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.0 secs

     total energy              =     -12.15186628 Ry
     estimated scf accuracy    <       0.00000693 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.66E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.0 secs

     total energy              =     -12.15186686 Ry
     estimated scf accuracy    <       0.00000177 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.0 secs

     total energy              =     -12.15186716 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.82E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2389  -4.4521  -3.7849  -2.6146

     highest occupied level (ev):    -2.6146

!    total energy              =     -12.15186720 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00000746    0.00021681   -0.11394173
     atom    2 type  2   force =    -0.00741509   -0.00463471   -0.01116545
     atom    3 type  2   force =    -0.00068157    0.00975919   -0.00938229
     atom    4 type  2   force =     0.00512475   -0.00193837   -0.01769114
     atom    5 type  2   force =     0.00296446   -0.00340292    0.03239208

     Total force =     0.121574     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   333
                           time      =   0.0483 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4499907686        9.4558717363        9.2705883955
H            11.4259947587       11.3998160026        8.9423899183
H             8.8358960256        8.6758786612        6.7032605544
H             6.9666212504       10.5381169644        9.7223176414
H            10.5291242960        6.9786520595        9.7007009177


     kinetic energy (Ekin) =           0.01269893 Ry
     temperature           =         334.16715170 K 
     Ekin + Etot (const)   =         -12.13916827 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9876990416

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.1 secs

     total energy              =     -12.15164620 Ry
     estimated scf accuracy    <       0.00000720 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.00E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.1 secs

     total energy              =     -12.15164679 Ry
     estimated scf accuracy    <       0.00000183 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.29E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.1 secs

     total energy              =     -12.15164710 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.90E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2388  -4.4529  -3.7819  -2.6134

     highest occupied level (ev):    -2.6134

!    total energy              =     -12.15164715 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00115542   -0.00123805   -0.11477087
     atom    2 type  2   force =    -0.00719580   -0.00455929   -0.01102915
     atom    3 type  2   force =    -0.00051245    0.00960652   -0.00885507
     atom    4 type  2   force =     0.00402945   -0.00147660   -0.01332039
     atom    5 type  2   force =     0.00252338   -0.00233258    0.02856567

     Total force =     0.120682     Total SCF correction =     0.000079

     Entering Dynamics:    iteration =   334
                           time      =   0.0485 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4499141892        9.4559023023        9.2684287752
H            11.4245424155       11.3997544272        8.9357697845
H             8.8361957438        8.6774021867        6.6993898517
H             6.9684210513       10.5381367823        9.7149290668
H            10.5306279283        6.9763118167        9.6987932970


     kinetic energy (Ekin) =           0.01313579 Ry
     temperature           =         345.66282799 K 
     Ekin + Etot (const)   =         -12.13851136 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0325487301

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.15E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.2 secs

     total energy              =     -12.15143735 Ry
     estimated scf accuracy    <       0.00000742 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.28E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.2 secs

     total energy              =     -12.15143796 Ry
     estimated scf accuracy    <       0.00000189 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.2 secs

     total energy              =     -12.15143828 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.96E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2387  -4.4537  -3.7788  -2.6124

     highest occupied level (ev):    -2.6124

!    total energy              =     -12.15143833 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00231369   -0.00273779   -0.11559905
     atom    2 type  2   force =    -0.00695464   -0.00446485   -0.01089361
     atom    3 type  2   force =    -0.00033523    0.00943679   -0.00831368
     atom    4 type  2   force =     0.00290731   -0.00099998   -0.00882474
     atom    5 type  2   force =     0.00206887   -0.00123417    0.02417644

     Total force =     0.119995     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   335
                           time      =   0.0486 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4498384233        9.4559319056        9.2662285128
H            11.4230213991       11.3996487640        8.9290420825
H             8.8364921518        8.6790188952        6.6954370559
H             6.9702495602       10.5381467259        9.7074533529
H            10.5321519895        6.9739593872        9.6971244050


     kinetic energy (Ekin) =           0.01355998 Ry
     temperature           =         356.82531880 K 
     Ekin + Etot (const)   =         -12.13787835 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0773358148

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.33E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.2 secs

     total energy              =     -12.15123862 Ry
     estimated scf accuracy    <       0.00000762 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.52E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.2 secs

     total energy              =     -12.15123924 Ry
     estimated scf accuracy    <       0.00000194 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.42E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.3 secs

     total energy              =     -12.15123956 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2386  -4.4544  -3.7757  -2.6117

     highest occupied level (ev):    -2.6117

!    total energy              =     -12.15123962 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00347385   -0.00427045   -0.11642229
     atom    2 type  2   force =    -0.00669236   -0.00435211   -0.01075829
     atom    3 type  2   force =    -0.00015248    0.00925109   -0.00776029
     atom    4 type  2   force =     0.00176551   -0.00051052   -0.00429987
     atom    5 type  2   force =     0.00160549   -0.00011801    0.01923589

     Total force =     0.119600     Total SCF correction =     0.000081

     Entering Dynamics:    iteration =   336
                           time      =   0.0488 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497638787        9.4559600076        9.2639873188
H            11.4214342994       11.3995001262        8.9222081483
H             8.8367870541        8.6807269529        6.6914076316
H             6.9720955025       10.5381516285        9.6999351801
H            10.5336919041        6.9716057924        9.6956454567


     kinetic energy (Ekin) =           0.01396652 Ry
     temperature           =         367.52310923 K 
     Ekin + Etot (const)   =         -12.13727310 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.1222344697

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.3 secs

     total energy              =     -12.15104872 Ry
     estimated scf accuracy    <       0.00000778 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.73E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.3 secs

     total energy              =     -12.15104934 Ry
     estimated scf accuracy    <       0.00000198 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.48E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.3 secs

     total energy              =     -12.15104968 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.06E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2386  -4.4551  -3.7724  -2.6112

     highest occupied level (ev):    -2.6112

!    total energy              =     -12.15104973 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00462745   -0.00582481   -0.11723806
     atom    2 type  2   force =    -0.00641002   -0.00422147   -0.01062335
     atom    3 type  2   force =     0.00003298    0.00905131   -0.00719755
     atom    4 type  2   force =     0.00061210   -0.00001217    0.00016723
     atom    5 type  2   force =     0.00113749    0.00100714    0.01377305

     Total force =     0.119574     Total SCF correction =     0.000081

     Entering Dynamics:    iteration =   337
                           time      =   0.0489 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496909610        9.4559860617        9.2617049063
H            11.4197839044       11.3993098037        8.9152693146
H             8.8370822820        8.6825243873        6.6873071356
H             6.9739474889       10.5381564109        9.6924186587
H            10.5352430507        6.9692621425        9.6943025095


     kinetic energy (Ekin) =           0.01435188 Ry
     temperature           =         377.66367781 K 
     Ekin + Etot (const)   =         -12.13669786 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.1674451323

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.61E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.4 secs

     total energy              =     -12.15086624 Ry
     estimated scf accuracy    <       0.00000792 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.90E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.4 secs

     total energy              =     -12.15086687 Ry
     estimated scf accuracy    <       0.00000202 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.4 secs

     total energy              =     -12.15086721 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2385  -4.4559  -3.7691  -2.6109

     highest occupied level (ev):    -2.6109

!    total energy              =     -12.15086727 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00576008   -0.00739597   -0.11803084
     atom    2 type  2   force =    -0.00610597   -0.00407349   -0.01049461
     atom    3 type  2   force =     0.00021804    0.00884409   -0.00662902
     atom    4 type  2   force =    -0.00054224    0.00049293    0.00449614
     atom    5 type  2   force =     0.00067009    0.00213243    0.00783296

     Total force =     0.119969     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   338
                           time      =   0.0491 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496200684        9.4560095156        9.2593809968
H            11.4180732163       11.3990792578        8.9082268526
H             8.8373796630        8.6844091520        6.6831411817
H             6.9757941211       10.5381660607        9.6849465342
H            10.5368008141        6.9669395492        9.6930369084


     kinetic energy (Ekin) =           0.01471428 Ry
     temperature           =         387.20014392 K 
     Ekin + Etot (const)   =         -12.13615299 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.2131846414

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.67E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.5 secs

     total energy              =     -12.15068956 Ry
     estimated scf accuracy    <       0.00000799 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.99E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.5 secs

     total energy              =     -12.15069020 Ry
     estimated scf accuracy    <       0.00000204 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.5 secs

     total energy              =     -12.15069054 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.11E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2384  -4.4566  -3.7657  -2.6108

     highest occupied level (ev):    -2.6108

!    total energy              =     -12.15069060 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00687533   -0.00895950   -0.11882588
     atom    2 type  2   force =    -0.00578708   -0.00390858   -0.01036060
     atom    3 type  2   force =     0.00040050    0.00862234   -0.00558538
     atom    4 type  2   force =    -0.00169448    0.00099661    0.00862739
     atom    5 type  2   force =     0.00020572    0.00324913    0.00149380

     Total force =     0.120831     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   339
                           time      =   0.0492 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4495515931        9.4560298194        9.2570153106
H            11.4163053841       11.3988101169        8.9010820854
H             8.8376809987        8.6863790576        6.6789200752
H             6.9776240213       10.5381855516        9.6775596003
H            10.5383606089        6.9646490393        9.6917860576


     kinetic energy (Ekin) =           0.01505281 Ry
     temperature           =         396.10835045 K 
     Ekin + Etot (const)   =         -12.13563779 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.2595863999

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.72E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.6 secs

     total energy              =     -12.15051692 Ry
     estimated scf accuracy    <       0.00000806 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.6 secs

     total energy              =     -12.15051756 Ry
     estimated scf accuracy    <       0.00000206 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.6 secs

     total energy              =     -12.15051790 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.12E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2384  -4.4574  -3.7623  -2.6110

     highest occupied level (ev):    -2.6110

!    total energy              =     -12.15051796 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00795909   -0.01051007   -0.11960677
     atom    2 type  2   force =    -0.00545181   -0.00372736   -0.01022706
     atom    3 type  2   force =     0.00057691    0.00839263   -0.00289781
     atom    4 type  2   force =    -0.00283392    0.00149677    0.01250294
     atom    5 type  2   force =    -0.00025026    0.00434803   -0.00515281

     Total force =     0.122144     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   340
                           time      =   0.0493 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4494859160        9.4560464282        9.2546075732
H            11.4144837183       11.3985041704        8.8938363318
H             8.8379880310        8.6884318356        6.6746703545
H             6.9794259380       10.5382198221        9.6702961259
H            10.5399179325        6.9624014637        9.6904843258


     kinetic energy (Ekin) =           0.01536496 Ry
     temperature           =         404.32242356 K 
     Ekin + Etot (const)   =         -12.13515300 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.3064674358

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.7 secs

     total energy              =     -12.15034635 Ry
     estimated scf accuracy    <       0.00000806 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.7 secs

     total energy              =     -12.15034698 Ry
     estimated scf accuracy    <       0.00000206 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.7 secs

     total energy              =     -12.15034733 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.10E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2384  -4.4581  -3.7587  -2.6113

     highest occupied level (ev):    -2.6113

!    total energy              =     -12.15034738 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00900248   -0.01203644   -0.12036508
     atom    2 type  2   force =    -0.00510026   -0.00352910   -0.01009434
     atom    3 type  2   force =     0.00074310    0.00815565    0.00149260
     atom    4 type  2   force =    -0.00395212    0.00199027    0.01607901
     atom    5 type  2   force =    -0.00069320    0.00541963   -0.01198586

     Total force =     0.123996     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   341
                           time      =   0.0495 pico-seconds


     Velocity rescaling: T ( 404.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4494325079        9.4560565030        9.2524912693
H            11.4128642026       11.3982057851        8.8874952808
H             8.8382598414        8.6902805979        6.6710244524
H             6.9809390550       10.5382689950        9.6641982577
H            10.5412525409        6.9605189543        9.6892446814


     kinetic energy (Ekin) =           0.01162616 Ry
     temperature           =         305.93753909 K 
     Ekin + Etot (const)   =         -12.13872123 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8918016902

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.75E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       20.8 secs

     total energy              =     -12.15020153 Ry
     estimated scf accuracy    <       0.00000633 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.91E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.8 secs

     total energy              =     -12.15020208 Ry
     estimated scf accuracy    <       0.00000146 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.83E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.8 secs

     total energy              =     -12.15020235 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2384  -4.4588  -3.7557  -2.6117

     highest occupied level (ev):    -2.6117

!    total energy              =     -12.15020239 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.00986103   -0.01330724   -0.12097655
     atom    2 type  2   force =    -0.00479124   -0.00334587   -0.00998601
     atom    3 type  2   force =     0.00086949    0.00794796    0.00707557
     atom    4 type  2   force =    -0.00488343    0.00240496    0.01788795
     atom    5 type  2   force =    -0.00105584    0.00630019   -0.01916217

     Total force =     0.126155     Total SCF correction =     0.000062

     Entering Dynamics:    iteration =   342
                           time      =   0.0496 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4493825667        9.4560618992        9.2503324327
H            11.4111973761       11.3978743612        8.8810556236
H             8.8385402375        8.6922078418        6.6674484175
H             6.9824039509       10.5383419155        9.6582770230
H            10.5425767234        6.9586986556        9.6878158213


     kinetic energy (Ekin) =           0.01185049 Ry
     temperature           =         311.84076176 K 
     Ekin + Etot (const)   =         -12.13835190 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9386832313

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       20.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       20.9 secs

     total energy              =     -12.15005574 Ry
     estimated scf accuracy    <       0.00000614 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.67E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       20.9 secs

     total energy              =     -12.15005630 Ry
     estimated scf accuracy    <       0.00000143 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.9 secs

     total energy              =     -12.15005655 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       20.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2385  -4.4596  -3.7526  -2.6123

     highest occupied level (ev):    -2.6123

!    total energy              =     -12.15005660 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01067253   -0.01452841   -0.12153640
     atom    2 type  2   force =    -0.00446260   -0.00314722   -0.00987225
     atom    3 type  2   force =     0.00097612    0.00772586    0.01403739
     atom    4 type  2   force =    -0.00578462    0.00280176    0.01942597
     atom    5 type  2   force =    -0.00140143    0.00714802   -0.02624520

     Total force =     0.129002     Total SCF correction =     0.000060

     Entering Dynamics:    iteration =   343
                           time      =   0.0498 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4493363778        9.4560621875        9.2481308665
H            11.4094864839       11.3975118602        8.8745184834
H             8.8388302721        8.6942113742        6.6640109940
H             6.9838117269       10.5384425018        9.6525476088
H            10.5438870676        6.9569489396        9.6861278046


     kinetic energy (Ekin) =           0.01206317 Ry
     temperature           =         317.43728889 K 
     Ekin + Etot (const)   =         -12.13799343 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9854366762

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.54E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       21.0 secs

     total energy              =     -12.14990583 Ry
     estimated scf accuracy    <       0.00000606 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.58E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.0 secs

     total energy              =     -12.14990638 Ry
     estimated scf accuracy    <       0.00000141 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.0 secs

     total energy              =     -12.14990664 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2387  -4.4604  -3.7495  -2.6132

     highest occupied level (ev):    -2.6132

!    total energy              =     -12.14990668 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01143719   -0.01568252   -0.12201701
     atom    2 type  2   force =    -0.00412247   -0.00293503   -0.00975917
     atom    3 type  2   force =     0.00105554    0.00749079    0.02224678
     atom    4 type  2   force =    -0.00664675    0.00318063    0.02067644
     atom    5 type  2   force =    -0.00172350    0.00794613   -0.03304337

     Total force =     0.132581     Total SCF correction =     0.000059

     Entering Dynamics:    iteration =   344
                           time      =   0.0499 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4492942099        9.4560569622        9.2458864017
H            11.4077348846       11.3971203774        8.8678849769
H             8.8391307297        8.6962888740        6.6607932450
H             6.9851538700       10.5385744951        9.6470223628
H            10.5451803932        6.9552776872        9.6841135032


     kinetic energy (Ekin) =           0.01226895 Ry
     temperature           =         322.85242629 K 
     Ekin + Etot (const)   =         -12.13763773 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0315779572

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.47E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       21.1 secs

     total energy              =     -12.14974860 Ry
     estimated scf accuracy    <       0.00000597 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.46E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.1 secs

     total energy              =     -12.14974916 Ry
     estimated scf accuracy    <       0.00000139 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.1 secs

     total energy              =     -12.14974941 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2391  -4.4612  -3.7466  -2.6142

     highest occupied level (ev):    -2.6142

!    total energy              =     -12.14974945 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01215504   -0.01675397   -0.12239003
     atom    2 type  2   force =    -0.00377211   -0.00271023   -0.00964707
     atom    3 type  2   force =     0.00110075    0.00723869    0.03150415
     atom    4 type  2   force =    -0.00746515    0.00353865    0.02163149
     atom    5 type  2   force =    -0.00201853    0.00868685   -0.03936033

     Total force =     0.136870     Total SCF correction =     0.000058

     Entering Dynamics:    iteration =   345
                           time      =   0.0501 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4492563155        9.4560458466        9.2435989072
H            11.4059460379       11.3967021327        8.8611562111
H             8.8394420566        8.6984378519        6.6578865818
H             6.9864222989       10.5387414306        9.6417107155
H            10.5464537870        6.9536922126        9.6817105406


     kinetic energy (Ekin) =           0.01247630 Ry
     temperature           =         328.30878178 K 
     Ekin + Etot (const)   =         -12.13727315 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.0766076055

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.42E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       21.2 secs

     total energy              =     -12.14958100 Ry
     estimated scf accuracy    <       0.00000587 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.33E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.2 secs

     total energy              =     -12.14958156 Ry
     estimated scf accuracy    <       0.00000136 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.2 secs

     total energy              =     -12.14958181 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2395  -4.4621  -3.7438  -2.6155

     highest occupied level (ev):    -2.6155

!    total energy              =     -12.14958186 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01282749   -0.01772728   -0.12262290
     atom    2 type  2   force =    -0.00341288   -0.00247373   -0.00953635
     atom    3 type  2   force =     0.00110432    0.00696441    0.04154083
     atom    4 type  2   force =    -0.00823561    0.00387340    0.02228558
     atom    5 type  2   force =    -0.00228332    0.00936320   -0.04499964

     Total force =     0.141762     Total SCF correction =     0.000057

     Entering Dynamics:    iteration =   346
                           time      =   0.0502 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4492229309        9.4560284984        9.2412683010
H            11.4041234908       11.3962594613        8.8543332791
H             8.8397642879        8.7006555993        6.6553901110
H             6.9876094058       10.5389466137        9.6366191259
H            10.5477046343        6.9521991943        9.6788632318


     kinetic energy (Ekin) =           0.01269764 Ry
     temperature           =         334.13315881 K 
     Ekin + Etot (const)   =         -12.13688421 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.1200315311

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.39E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       21.3 secs

     total energy              =     -12.14940012 Ry
     estimated scf accuracy    <       0.00000579 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.23E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.3 secs

     total energy              =     -12.14940069 Ry
     estimated scf accuracy    <       0.00000133 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.3 secs

     total energy              =     -12.14940094 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2403  -4.4630  -3.7412  -2.6171

     highest occupied level (ev):    -2.6171

!    total energy              =     -12.14940098 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01345700   -0.01858708   -0.12267954
     atom    2 type  2   force =    -0.00304611   -0.00222648   -0.00942755
     atom    3 type  2   force =     0.00105848    0.00666188    0.05202050
     atom    4 type  2   force =    -0.00895437    0.00418273    0.02263482
     atom    5 type  2   force =    -0.00251500    0.00996894   -0.04977499

     Total force =     0.147054     Total SCF correction =     0.000056

     Entering Dynamics:    iteration =   347
                           time      =   0.0504 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491942776        9.4560046154        9.2388945634
H            11.4022708651       11.3957948047        8.8474172554
H             8.8400969712        8.7029391291        6.6534073134
H             6.9887080934       10.5391930989        9.6317510423
H            10.5489306473        6.9508046137        9.6755244230


     kinetic energy (Ekin) =           0.01294923 Ry
     temperature           =         340.75371020 K 
     Ekin + Etot (const)   =         -12.13645175 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.1613863881

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.41E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       21.4 secs

     total energy              =     -12.14920310 Ry
     estimated scf accuracy    <       0.00000575 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.19E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.4 secs

     total energy              =     -12.14920368 Ry
     estimated scf accuracy    <       0.00000132 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.4 secs

     total energy              =     -12.14920393 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2412  -4.4640  -3.7388  -2.6190

     highest occupied level (ev):    -2.6190

!    total energy              =     -12.14920397 Ry
     estimated scf accuracy    <       0.00000002 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01404708   -0.01931846   -0.12252124
     atom    2 type  2   force =    -0.00267316   -0.00196948   -0.00932132
     atom    3 type  2   force =     0.00095533    0.00632430    0.06254689
     atom    4 type  2   force =    -0.00961812    0.00446485    0.02267666
     atom    5 type  2   force =    -0.00271113    0.01049880   -0.05352082

     Total force =     0.152452     Total SCF correction =     0.000056

     Entering Dynamics:    iteration =   348
                           time      =   0.0505 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491705628        9.4559739404        9.2364777499
H            11.4003918435       11.3953107005        8.8404091888
H             8.8404390879        8.7052851077        6.6520421312
H             6.9897118074       10.5394836720        9.6271068781
H            10.5501298895        6.9495137029        9.6716571261


     kinetic energy (Ekin) =           0.01325053 Ry
     temperature           =         348.68218450 K 
     Ekin + Etot (const)   =         -12.13595344 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.2002676235

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  4.50E-08,  avg # of iterations =  3.0

     total cpu time spent up to now is       21.5 secs

     total energy              =     -12.14898700 Ry
     estimated scf accuracy    <       0.00000580 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.25E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.5 secs

     total energy              =     -12.14898760 Ry
     estimated scf accuracy    <       0.00000131 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2424  -4.4652  -3.7365  -2.6210

     highest occupied level (ev):    -2.6210

!    total energy              =     -12.14898788 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01460615   -0.01990126   -0.12212417
     atom    2 type  2   force =    -0.00228755   -0.00170135   -0.00920720
     atom    3 type  2   force =     0.00078717    0.00592888    0.07265631
     atom    4 type  2   force =    -0.01022972    0.00470930    0.02242777
     atom    5 type  2   force =    -0.00287606    0.01096443   -0.05609331

     Total force =     0.157595     Total SCF correction =     0.000167

     Entering Dynamics:    iteration =   349
                           time      =   0.0507 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491519834        9.4559362686        9.2340180002
H            11.3984902336       11.3948097964        8.8333102064
H             8.8407889774        8.7076896307        6.6513943893
H             6.9906145087       10.5398207467        9.6226841754
H            10.5513007323        6.9483310597        9.6672359393


     kinetic energy (Ekin) =           0.01362270 Ry
     temperature           =         358.47578511 K 
     Ekin + Etot (const)   =         -12.13536518 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.2363577049

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.11E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.6 secs

     total energy              =     -12.14874873 Ry
     estimated scf accuracy    <       0.00000612 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.65E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.6 secs

     total energy              =     -12.14874923 Ry
     estimated scf accuracy    <       0.00000151 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.6 secs

     total energy              =     -12.14874952 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2440  -4.4662  -3.7351  -2.6239

     highest occupied level (ev):    -2.6239

!    total energy              =     -12.14874957 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01513165   -0.02033448   -0.12141409
     atom    2 type  2   force =    -0.00190986   -0.00143304   -0.00911197
     atom    3 type  2   force =     0.00054522    0.00551187    0.08194426
     atom    4 type  2   force =    -0.01077452    0.00493781    0.02184275
     atom    5 type  2   force =    -0.00299249    0.01131783   -0.05742138

     Total force =     0.162080     Total SCF correction =     0.000051

     Entering Dynamics:    iteration =   350
                           time      =   0.0508 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491387238        9.4558914476        9.2315155638
H            11.3965697650       11.3942947420        8.8261212483
H             8.8411442506        8.7101485804        6.6515558009
H             6.9914108177       10.5402065796        9.6184771577
H            10.5524420258        6.9472601737        9.6622477486


     kinetic energy (Ekin) =           0.01408693 Ry
     temperature           =         370.69174302 K 
     Ekin + Etot (const)   =         -12.13466264 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.2694516490

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.7 secs

     total energy              =     -12.14848440 Ry
     estimated scf accuracy    <       0.00000609 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.62E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.7 secs

     total energy              =     -12.14848495 Ry
     estimated scf accuracy    <       0.00000150 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.7 secs

     total energy              =     -12.14848524 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2459  -4.4673  -3.7339  -2.6271

     highest occupied level (ev):    -2.6271

!    total energy              =     -12.14848529 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01563370   -0.02060382   -0.12037136
     atom    2 type  2   force =    -0.00152833   -0.00115332   -0.00902245
     atom    3 type  2   force =     0.00022160    0.00502462    0.08989166
     atom    4 type  2   force =    -0.01125609    0.00513372    0.02095849
     atom    5 type  2   force =    -0.00307088    0.01159880   -0.05743053

     Total force =     0.165480     Total SCF correction =     0.000047

     Entering Dynamics:    iteration =   351
                           time      =   0.0509 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491309608        9.4558393828        9.2289708075
H            11.3946342050       11.3937682991        8.8188431986
H             8.8415017120        8.7126571454        6.6526048421
H             6.9920959791       10.5406431051        9.6144770934
H            10.5535529961        6.9463038193        9.6566924636


     kinetic energy (Ekin) =           0.01466178 Ry
     temperature           =         385.81875228 K 
     Ekin + Etot (const)   =         -12.13382351 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.2994768886

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.8 secs

     total energy              =     -12.14818967 Ry
     estimated scf accuracy    <       0.00000650 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.12E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.8 secs

     total energy              =     -12.14819026 Ry
     estimated scf accuracy    <       0.00000159 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.99E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.8 secs

     total energy              =     -12.14819057 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2482  -4.4684  -3.7332  -2.6308

     highest occupied level (ev):    -2.6308

!    total energy              =     -12.14819062 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01612180   -0.02068929   -0.11895475
     atom    2 type  2   force =    -0.00114550   -0.00087061   -0.00893260
     atom    3 type  2   force =    -0.00018996    0.00446912    0.09607354
     atom    4 type  2   force =    -0.01167521    0.00529601    0.01976864
     atom    5 type  2   force =    -0.00311112    0.01179476   -0.05612987

     Total force =     0.167406     Total SCF correction =     0.000051

     Entering Dynamics:    iteration =   352
                           time      =   0.0511 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491288658        9.4557800440        9.2263842292
H            11.3926873338       11.3932332594        8.8114769444
H             8.8418572976        8.7152098404        6.6546025556
H             6.9926658543       10.5411319257        9.6106722333
H            10.5546332458        6.9454639316        9.6505829278


     kinetic energy (Ekin) =           0.01536011 Ry
     temperature           =         404.19495147 K 
     Ekin + Etot (const)   =         -12.13283051 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -3.3265048682

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       21.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.9 secs

     total energy              =     -12.14785918 Ry
     estimated scf accuracy    <       0.00000715 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.94E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       21.9 secs

     total energy              =     -12.14785982 Ry
     estimated scf accuracy    <       0.00000173 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.16E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.9 secs

     total energy              =     -12.14786015 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.55E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       21.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2509  -4.4695  -3.7331  -2.6351

     highest occupied level (ev):    -2.6351

!    total energy              =     -12.14786021 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01660175   -0.02058677   -0.11713090
     atom    2 type  2   force =    -0.00076425   -0.00058522   -0.00884905
     atom    3 type  2   force =    -0.00069606    0.00383931    0.10012280
     atom    4 type  2   force =    -0.01202932    0.00542667    0.01827792
     atom    5 type  2   force =    -0.00311212    0.01190601   -0.05356604

     Total force =     0.167532     Total SCF correction =     0.000065

     Entering Dynamics:    iteration =   353
                           time      =   0.0512 pico-seconds


     Velocity rescaling: T ( 404.2K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4491328978        9.4557216847        9.2241146605
H            11.3910025196       11.3927665336        8.8050433924
H             8.8421567684        8.7174469484        6.6573122814
H             6.9930380302       10.5416066396        9.6075747558
H            10.5555331717        6.9448579170        9.6447905081


     kinetic energy (Ekin) =           0.01206743 Ry
     temperature           =         317.54945324 K 
     Ekin + Etot (const)   =         -12.13579278 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8883266831

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  2.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.22E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.0 secs

     total energy              =     -12.14753565 Ry
     estimated scf accuracy    <       0.00000606 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.57E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.0 secs

     total energy              =     -12.14753619 Ry
     estimated scf accuracy    <       0.00000143 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2533  -4.4704  -3.7329  -2.6386

     highest occupied level (ev):    -2.6386

!    total energy              =     -12.14753650 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01701366   -0.02030044   -0.11517112
     atom    2 type  2   force =    -0.00042685   -0.00033240   -0.00875532
     atom    3 type  2   force =    -0.00123343    0.00320780    0.10262600
     atom    4 type  2   force =    -0.01227825    0.00550710    0.01573083
     atom    5 type  2   force =    -0.00307514    0.01191794   -0.05167446

     Total force =     0.166845     Total SCF correction =     0.000172

     Entering Dynamics:    iteration =   354
                           time      =   0.0514 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491429114        9.4556561881        9.2218046000
H            11.3893134904       11.3922965255        8.7985233866
H             8.8424440598        8.7197157316        6.6610353814
H             6.9932889653       10.5421357330        9.6046326113
H            10.5564027323        6.9443695853        9.6384878321


     kinetic energy (Ekin) =           0.01291289 Ry
     temperature           =         339.79746747 K 
     Ekin + Etot (const)   =         -12.13462360 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9105246830

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.51E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.1 secs

     total energy              =     -12.14716530 Ry
     estimated scf accuracy    <       0.00000774 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.68E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.1 secs

     total energy              =     -12.14716589 Ry
     estimated scf accuracy    <       0.00000175 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.19E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.1 secs

     total energy              =     -12.14716624 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2569  -4.4715  -3.7345  -2.6441

     highest occupied level (ev):    -2.6441

!    total energy              =     -12.14716629 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01742617   -0.01982398   -0.11267714
     atom    2 type  2   force =    -0.00011490   -0.00008932   -0.00872431
     atom    3 type  2   force =    -0.00186981    0.00250600    0.10260031
     atom    4 type  2   force =    -0.01244287    0.00555747    0.01282814
     atom    5 type  2   force =    -0.00299858    0.01184983   -0.04869049

     Total force =     0.163939     Total SCF correction =     0.000082

     Entering Dynamics:    iteration =   355
                           time      =   0.0515 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491590516        9.4555837218        9.2194549247
H            11.3876233267       11.3918256354        8.7919172330
H             8.8427128878        8.7220092601        6.6657716018
H             6.9934170340       10.5427197033        9.6018171376
H            10.5572426837        6.9439982641        9.6317043649


     kinetic energy (Ekin) =           0.01388832 Ry
     temperature           =         365.46529766 K 
     Ekin + Etot (const)   =         -12.13327797 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9315073475

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.2 secs

     total energy              =     -12.14673910 Ry
     estimated scf accuracy    <       0.00000819 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.2 secs

     total energy              =     -12.14673979 Ry
     estimated scf accuracy    <       0.00000189 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.2 secs

     total energy              =     -12.14674016 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.59E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2606  -4.4725  -3.7361  -2.6494

     highest occupied level (ev):    -2.6494

!    total energy              =     -12.14674020 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01785149   -0.01914087   -0.10975706
     atom    2 type  2   force =     0.00020535    0.00015870   -0.00867101
     atom    3 type  2   force =    -0.00261552    0.00170183    0.09985322
     atom    4 type  2   force =    -0.01255389    0.00557708    0.00966836
     atom    5 type  2   force =    -0.00288744    0.01170325   -0.04465202

     Total force =     0.158772     Total SCF correction =     0.000092

     Entering Dynamics:    iteration =   356
                           time      =   0.0517 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4491814681        9.4555045260        9.2170666611
H            11.3859351906       11.3913563123        8.7852254582
H             8.8429558890        8.7243195933        6.6714938166
H             6.9934211401       10.5433587441        9.5990971334
H            10.5580541232        6.9437425059        9.6244799841


     kinetic energy (Ekin) =           0.01497082 Ry
     temperature           =         393.95080955 K 
     Ekin + Etot (const)   =         -12.13176939 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9517989714

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.3 secs

     total energy              =     -12.14624723 Ry
     estimated scf accuracy    <       0.00000801 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.3 secs

     total energy              =     -12.14624786 Ry
     estimated scf accuracy    <       0.00000246 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.08E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.3 secs

     total energy              =     -12.14624828 Ry
     estimated scf accuracy    <       0.00000027 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.42E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2644  -4.4733  -3.7379  -2.6546

     highest occupied level (ev):    -2.6546

!    total energy              =     -12.14624834 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01828864   -0.01824893   -0.10634991
     atom    2 type  2   force =     0.00053162    0.00040815   -0.00861844
     atom    3 type  2   force =    -0.00347408    0.00078816    0.09441680
     atom    4 type  2   force =    -0.01260931    0.00557378    0.00626930
     atom    5 type  2   force =    -0.00273687    0.01147885   -0.03970607

     Total force =     0.151410     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   357
                           time      =   0.0518 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4492103145        9.4554189143        9.2146410072
H            11.3842523040       11.3908910194        8.7784485810
H             8.8431645857        8.7266377091        6.6781483444
H             6.9933007364       10.5440528229        9.5964390352
H            10.5588385376        6.9436000948        9.6168635282


     kinetic energy (Ekin) =           0.01612520 Ry
     temperature           =         424.32807466 K 
     Ekin + Etot (const)   =         -12.13012314 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9719640018

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.4 secs

     total energy              =     -12.14567940 Ry
     estimated scf accuracy    <       0.00000993 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.24E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.4 secs

     total energy              =     -12.14568003 Ry
     estimated scf accuracy    <       0.00000296 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.70E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.4 secs

     total energy              =     -12.14568055 Ry
     estimated scf accuracy    <       0.00000031 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.90E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2691  -4.4743  -3.7408  -2.6609

     highest occupied level (ev):    -2.6609

!    total energy              =     -12.14568064 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01876079   -0.01716686   -0.10248116
     atom    2 type  2   force =     0.00083670    0.00065148   -0.00857845
     atom    3 type  2   force =    -0.00443703   -0.00020995    0.08653996
     atom    4 type  2   force =    -0.01259972    0.00553823    0.00265247
     atom    5 type  2   force =    -0.00256074    0.01118709   -0.03404500

     Total force =     0.142197     Total SCF correction =     0.000065

     Entering Dynamics:    iteration =   358
                           time      =   0.0520 pico-seconds


     Velocity rescaling: T ( 424.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4492411654        9.4553408937        9.2125654072
H            11.3828455394       11.3905062189        8.7726656518
H             8.8432962516        8.7285847842        6.6845982243
H             6.9930750818       10.5446911142        9.5942302102
H            10.5594728133        6.9435908171        9.6101231855


     kinetic energy (Ekin) =           0.01231593 Ry
     temperature           =         324.08870245 K 
     Ekin + Etot (const)   =         -12.13336470 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5179205112

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.5 secs

     total energy              =     -12.14512741 Ry
     estimated scf accuracy    <       0.00000809 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.5 secs

     total energy              =     -12.14512792 Ry
     estimated scf accuracy    <       0.00000239 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.98E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.5 secs

     total energy              =     -12.14512833 Ry
     estimated scf accuracy    <       0.00000024 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.03E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2735  -4.4751  -3.7438  -2.6664

     highest occupied level (ev):    -2.6664

!    total energy              =     -12.14512841 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01917233   -0.01605955   -0.09878828
     atom    2 type  2   force =     0.00108505    0.00084856   -0.00855625
     atom    3 type  2   force =    -0.00534802   -0.00114427    0.07938138
     atom    4 type  2   force =    -0.01252835    0.00548066   -0.00185306
     atom    5 type  2   force =    -0.00238102    0.01087460   -0.03028226

     Total force =     0.134248     Total SCF correction =     0.000060

     Entering Dynamics:    iteration =   359
                           time      =   0.0521 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4492787568        9.4552572268        9.2104550753
H            11.3814494890       11.3901297974        8.7667982344
H             8.8433751089        8.7305205603        6.6918319508
H             6.9927257169       10.5453835239        9.5920030872
H            10.5600835778        6.9436889200        9.6030838225


     kinetic energy (Ekin) =           0.01332651 Ry
     temperature           =         350.68162660 K 
     Ekin + Etot (const)   =         -12.13180190 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5396725076

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.6 secs

     total energy              =     -12.14449338 Ry
     estimated scf accuracy    <       0.00000920 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.15E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.6 secs

     total energy              =     -12.14449395 Ry
     estimated scf accuracy    <       0.00000270 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.6 secs

     total energy              =     -12.14449442 Ry
     estimated scf accuracy    <       0.00000027 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.33E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2782  -4.4760  -3.7473  -2.6722

     highest occupied level (ev):    -2.6722

!    total energy              =     -12.14449450 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01960742   -0.01476600   -0.09467131
     atom    2 type  2   force =     0.00132670    0.00104068   -0.00853821
     atom    3 type  2   force =    -0.00635727   -0.00217465    0.07019137
     atom    4 type  2   force =    -0.01240294    0.00540015   -0.00648187
     atom    5 type  2   force =    -0.00217390    0.01049982   -0.02596325

     Total force =     0.125008     Total SCF correction =     0.000066

     Entering Dynamics:    iteration =   360
                           time      =   0.0522 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4493232418        9.4551683686        9.2083114590
H            11.3800665389       11.3897636521        8.7608465069
H             8.8433911918        8.7324348629        6.6997587776
H             6.9922538798       10.5461292571        9.5897119595
H            10.5606728762        6.9438907027        9.5957880869


     kinetic energy (Ekin) =           0.01433113 Ry
     temperature           =         377.11772679 K 
     Ekin + Etot (const)   =         -12.13016337 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5632153326

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.7 secs

     total energy              =     -12.14376910 Ry
     estimated scf accuracy    <       0.00001034 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.29E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.7 secs

     total energy              =     -12.14376973 Ry
     estimated scf accuracy    <       0.00000301 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.7 secs

     total energy              =     -12.14377025 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.64E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2833  -4.4768  -3.7513  -2.6781

     highest occupied level (ev):    -2.6781

!    total energy              =     -12.14377034 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02006889   -0.01329324   -0.09015552
     atom    2 type  2   force =     0.00155812    0.00122520   -0.00852763
     atom    3 type  2   force =    -0.00746042   -0.00329753    0.05929375
     atom    4 type  2   force =    -0.01222477    0.00529770   -0.01114940
     atom    5 type  2   force =    -0.00194181    0.01006787   -0.02121411

     Total force =     0.114993     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   361
                           time      =   0.0524 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4493747826        9.4550748367        9.2061361459
H            11.3786989745       11.3894096049        8.7548105739
H             8.8433336071        8.7343166043        6.7082710969
H             6.9916613300       10.5469273020        9.5873107377
H            10.5612430003        6.9441919000        9.5882828740


     kinetic energy (Ekin) =           0.01528860 Ry
     temperature           =         402.31311336 K 
     Ekin + Etot (const)   =         -12.12848174 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5889433656

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.8 secs

     total energy              =     -12.14294780 Ry
     estimated scf accuracy    <       0.00001142 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.8 secs

     total energy              =     -12.14294847 Ry
     estimated scf accuracy    <       0.00000330 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.8 secs

     total energy              =     -12.14294904 Ry
     estimated scf accuracy    <       0.00000031 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.93E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2888  -4.4777  -3.7558  -2.6840

     highest occupied level (ev):    -2.6840

!    total energy              =     -12.14294914 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02055796   -0.01165108   -0.08527410
     atom    2 type  2   force =     0.00177814    0.00140072   -0.00852453
     atom    3 type  2   force =    -0.00865143   -0.00450912    0.04705465
     atom    4 type  2   force =    -0.01199717    0.00517545   -0.01575947
     atom    5 type  2   force =    -0.00168751    0.00958403   -0.01616141

     Total force =     0.104843     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   362
                           time      =   0.0525 pico-seconds


     Velocity rescaling: T ( 402.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4494265175        9.4549899726        9.2042277125
H            11.3775355967       11.3891177051        8.7495141764
H             8.8431984529        8.7358970235        6.7160863970
H             6.9910311789       10.5476675441        9.5850815894
H            10.5617186576        6.9445466304        9.5816422961


     kinetic energy (Ekin) =           0.01209876 Ry
     temperature           =         318.37387315 K 
     Ekin + Etot (const)   =         -12.13085038 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.2620032812

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       22.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       22.9 secs

     total energy              =     -12.14215008 Ry
     estimated scf accuracy    <       0.00000932 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.17E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       22.9 secs

     total energy              =     -12.14215062 Ry
     estimated scf accuracy    <       0.00000268 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.9 secs

     total energy              =     -12.14215108 Ry
     estimated scf accuracy    <       0.00000025 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.17E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       22.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2938  -4.4784  -3.7601  -2.6891

     highest occupied level (ev):    -2.6891

!    total energy              =     -12.14215116 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02099976   -0.01008270   -0.08075983
     atom    2 type  2   force =     0.00195478    0.00154168   -0.00853073
     atom    3 type  2   force =    -0.00975269   -0.00563081    0.03678982
     atom    4 type  2   force =    -0.01175318    0.00505141   -0.02084661
     atom    5 type  2   force =    -0.00144866    0.00912042   -0.01284318

     Total force =     0.097327     Total SCF correction =     0.000069

     Entering Dynamics:    iteration =   363
                           time      =   0.0527 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4494856354        9.4549015637        9.2022908857
H            11.3763915212       11.3888410286        8.7441335428
H             8.8429669963        8.7374218415        6.7242649758
H             6.9902849716       10.5484576661        9.5826465925
H            10.5621800103        6.9449914199        9.5748748989


     kinetic energy (Ekin) =           0.01277260 Ry
     temperature           =         336.10567793 K 
     Ekin + Etot (const)   =         -12.12937856 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.2929136695

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.0 secs

     total energy              =     -12.14126333 Ry
     estimated scf accuracy    <       0.00001003 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.25E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.0 secs

     total energy              =     -12.14126389 Ry
     estimated scf accuracy    <       0.00000287 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.0 secs

     total energy              =     -12.14126439 Ry
     estimated scf accuracy    <       0.00000027 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.38E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.2991  -4.4792  -3.7647  -2.6940

     highest occupied level (ev):    -2.6940

!    total energy              =     -12.14126448 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02145711   -0.00837815   -0.07598843
     atom    2 type  2   force =     0.00211950    0.00167196   -0.00854163
     atom    3 type  2   force =    -0.01091551   -0.00682054    0.02575134
     atom    4 type  2   force =    -0.01146818    0.00491290   -0.02568142
     atom    5 type  2   force =    -0.00119292    0.00861383   -0.00933496

     Total force =     0.090509     Total SCF correction =     0.000071

     Entering Dynamics:    iteration =   364
                           time      =   0.0528 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4495522973        9.4548102092        9.2003273429
H            11.3752683746       11.3885808617        8.7386685655
H             8.8426277552        8.7388793106        6.7326978346
H             6.9894255226       10.5492963001        9.5799580061
H            10.5626295835        6.9455212662        9.5680153243


     kinetic energy (Ekin) =           0.01336522 Ry
     temperature           =         351.70027183 K 
     Ekin + Etot (const)   =         -12.12789926 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.3266609773

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.1 secs

     total energy              =     -12.14028697 Ry
     estimated scf accuracy    <       0.00001060 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.1 secs

     total energy              =     -12.14028756 Ry
     estimated scf accuracy    <       0.00000303 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.78E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.1 secs

     total energy              =     -12.14028809 Ry
     estimated scf accuracy    <       0.00000028 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.56E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3045  -4.4800  -3.7697  -2.6987

     highest occupied level (ev):    -2.6987

!    total energy              =     -12.14028818 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02192819   -0.00655113   -0.07100911
     atom    2 type  2   force =     0.00227015    0.00178980   -0.00855903
     atom    3 type  2   force =    -0.01213052   -0.00806986    0.01425549
     atom    4 type  2   force =    -0.01114486    0.00476130   -0.03013624
     atom    5 type  2   force =    -0.00092295    0.00806990   -0.00571744

     Total force =     0.084952     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   365
                           time      =   0.0530 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4496266685        9.4547165515        9.1983388349
H            11.3741676444       11.3883383681        8.7331190724
H             8.8421687320        8.7402570944        6.7412714584
H             6.9884560243       10.5501819493        9.5769718412
H            10.5630700431        6.9461307982        9.5610992932


     kinetic energy (Ekin) =           0.01386128 Ry
     temperature           =         364.75382938 K 
     Ekin + Etot (const)   =         -12.12642690 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.3632162437

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.2 secs

     total energy              =     -12.13922299 Ry
     estimated scf accuracy    <       0.00001102 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.2 secs

     total energy              =     -12.13922360 Ry
     estimated scf accuracy    <       0.00000314 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.2 secs

     total energy              =     -12.13922415 Ry
     estimated scf accuracy    <       0.00000030 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.71E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3101  -4.4808  -3.7748  -2.7030

     highest occupied level (ev):    -2.7030

!    total energy              =     -12.13922424 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02240889   -0.00461767   -0.06587525
     atom    2 type  2   force =     0.00240586    0.00189410   -0.00858272
     atom    3 type  2   force =    -0.01338630   -0.00936891    0.00259970
     atom    4 type  2   force =    -0.01078700    0.00459879   -0.03408519
     atom    5 type  2   force =    -0.00064145    0.00749369   -0.00206530

     Total force =     0.081117     Total SCF correction =     0.000073

     Entering Dynamics:    iteration =   366
                           time      =   0.0531 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497089183        9.4546212702        9.1963271665
H            11.3730906708       11.3881145776        8.7274848299
H             8.8415775267        8.7415423654        6.7498707528
H             6.9873800103       10.5511130090        9.5736491043
H            10.5635041687        6.9468143261        9.5541628685


     kinetic energy (Ekin) =           0.01425222 Ry
     temperature           =         375.04119575 K 
     Ekin + Etot (const)   =         -12.12497203 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4024365716

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.3 secs

     total energy              =     -12.13807641 Ry
     estimated scf accuracy    <       0.00001127 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.3 secs

     total energy              =     -12.13807703 Ry
     estimated scf accuracy    <       0.00000321 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.3 secs

     total energy              =     -12.13807759 Ry
     estimated scf accuracy    <       0.00000031 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.82E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3158  -4.4817  -3.7801  -2.7069

     highest occupied level (ev):    -2.7069

!    total energy              =     -12.13807769 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02289329   -0.00259570   -0.06064553
     atom    2 type  2   force =     0.00252583    0.00198381   -0.00861239
     atom    3 type  2   force =    -0.01466990   -0.01070602   -0.00894112
     atom    4 type  2   force =    -0.01039810    0.00442745   -0.03741065
     atom    5 type  2   force =    -0.00035112    0.00689046    0.00155140

     Total force =     0.079248     Total SCF correction =     0.000074

     Entering Dynamics:    iteration =   367
                           time      =   0.0533 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4497992169        9.4545250764        9.1942941764
H            11.3720386382       11.3879103762        8.7217655448
H             8.8408414643        8.7427219204        6.7583817586
H             6.9862013210       10.5520877872        9.5699569582
H            10.5639348271        6.9475658935        9.5472417629


     kinetic energy (Ekin) =           0.01453643 Ry
     temperature           =         382.52022157 K 
     Ekin + Etot (const)   =         -12.12354125 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4440741436

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.4 secs

     total energy              =     -12.13685532 Ry
     estimated scf accuracy    <       0.00001134 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.4 secs

     total energy              =     -12.13685595 Ry
     estimated scf accuracy    <       0.00000323 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.4 secs

     total energy              =     -12.13685653 Ry
     estimated scf accuracy    <       0.00000031 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.90E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3216  -4.4826  -3.7854  -2.7103

     highest occupied level (ev):    -2.7103

!    total energy              =     -12.13685662 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02337374   -0.00050478   -0.05538283
     atom    2 type  2   force =     0.00262931    0.00205800   -0.00864771
     atom    3 type  2   force =    -0.01596711   -0.01206797   -0.02012229
     atom    4 type  2   force =    -0.00998130    0.00424919   -0.04000911
     atom    5 type  2   force =    -0.00005464    0.00626556    0.00506878

     Total force =     0.079301     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   368
                           time      =   0.0534 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4498977332        9.4544287052        9.1922417150
H            11.3710125687       11.3877264963        8.7159608684
H             8.8399477357        8.7437823111        6.7666940681
H             6.9849240719       10.5531045238        9.5658697447
H            10.5643649460        6.9483793298        9.5403707088


     kinetic energy (Ekin) =           0.01471884 Ry
     temperature           =         387.32014208 K 
     Ekin + Etot (const)   =         -12.12213778 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4877900399

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.5 secs

     total energy              =     -12.13557082 Ry
     estimated scf accuracy    <       0.00001123 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.5 secs

     total energy              =     -12.13557146 Ry
     estimated scf accuracy    <       0.00000321 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.5 secs

     total energy              =     -12.13557203 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.95E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3273  -4.4835  -3.7908  -2.7131

     highest occupied level (ev):    -2.7131

!    total energy              =     -12.13557212 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02383883    0.00163405   -0.05015283
     atom    2 type  2   force =     0.00271596    0.00211566   -0.00868951
     atom    3 type  2   force =    -0.01726326   -0.01344007   -0.03073507
     atom    4 type  2   force =    -0.00953732    0.00406619   -0.04179559
     atom    5 type  2   force =     0.00024578    0.00562417    0.00843206

     Total force =     0.080957     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   369
                           time      =   0.0536 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4500046307        9.4543329084        9.1901716208
H            11.3700133178       11.3875635073        8.7100703880
H             8.8388835422        8.7447099886        6.7747028860
H             6.9835526471       10.5541614116        9.5613698231
H            10.5647974918        6.9492483016        9.5335829165


     kinetic energy (Ekin) =           0.01480988 Ry
     temperature           =         389.71583988 K 
     Ekin + Etot (const)   =         -12.12076224 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5331714332

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.6 secs

     total energy              =     -12.13423669 Ry
     estimated scf accuracy    <       0.00001098 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.6 secs

     total energy              =     -12.13423733 Ry
     estimated scf accuracy    <       0.00000315 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.94E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.6 secs

     total energy              =     -12.13423790 Ry
     estimated scf accuracy    <       0.00000032 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.96E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3329  -4.4845  -3.7960  -2.7152

     highest occupied level (ev):    -2.7152

!    total energy              =     -12.13423799 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02428262    0.00379919   -0.04502308
     atom    2 type  2   force =     0.00278467    0.00215647   -0.00873502
     atom    3 type  2   force =    -0.01854146   -0.01480702   -0.04059885
     atom    4 type  2   force =    -0.00907260    0.00387910   -0.04271255
     atom    5 type  2   force =     0.00054677    0.00497226    0.01158820

     Total force =     0.083739     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =   370
                           time      =   0.0537 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4501200654        9.4542384473        9.1880856976
H            11.3690415640       11.3874218123        8.7040936542
H             8.8376362622        8.7454914552        6.7823108131
H             6.9820916355       10.5552566034        9.5564481392
H            10.5652354367        6.9501663717        9.5269095512


     kinetic energy (Ekin) =           0.01482426 Ry
     temperature           =         390.09427545 K 
     Ekin + Etot (const)   =         -12.11941373 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.5797506029

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.7 secs

     total energy              =     -12.13286908 Ry
     estimated scf accuracy    <       0.00001113 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.7 secs

     total energy              =     -12.13286964 Ry
     estimated scf accuracy    <       0.00000300 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.75E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.7 secs

     total energy              =     -12.13287023 Ry
     estimated scf accuracy    <       0.00000030 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.77E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3384  -4.4855  -3.8011  -2.7167

     highest occupied level (ev):    -2.7167

!    total energy              =     -12.13287031 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02468975    0.00596777   -0.04006025
     atom    2 type  2   force =     0.00283563    0.00218124   -0.00878337
     atom    3 type  2   force =    -0.01978600   -0.01615178   -0.04956538
     atom    4 type  2   force =    -0.00858479    0.00368753   -0.04273155
     atom    5 type  2   force =     0.00084541    0.00431524    0.01449595

     Total force =     0.087131     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   371
                           time      =   0.0538 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4502441806        9.4541460844        9.1859856899
H            11.3680978105       11.3873016557        8.6980301896
H             8.8361936064        8.7461134320        6.7894293099
H             6.9805458540       10.5563882075        9.5511045052
H            10.5656817295        6.9511270525        9.5203793252


     kinetic energy (Ekin) =           0.01477951 Ry
     temperature           =         388.91672669 K 
     Ekin + Etot (const)   =         -12.11809080 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.6270242076

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.8 secs

     total energy              =     -12.13148577 Ry
     estimated scf accuracy    <       0.00001056 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.32E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       23.8 secs

     total energy              =     -12.13148633 Ry
     estimated scf accuracy    <       0.00000288 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.8 secs

     total energy              =     -12.13148690 Ry
     estimated scf accuracy    <       0.00000030 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3435  -4.4864  -3.8060  -2.7174

     highest occupied level (ev):    -2.7174

!    total energy              =     -12.13148698 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02504892    0.00811992   -0.03533121
     atom    2 type  2   force =     0.00286832    0.00218666   -0.00883685
     atom    3 type  2   force =    -0.02098059   -0.01745972   -0.05752410
     atom    4 type  2   force =    -0.00807846    0.00349620   -0.04184164
     atom    5 type  2   force =     0.00114182    0.00365694    0.01712686

     Total force =     0.090681     Total SCF correction =     0.000094

     Entering Dynamics:    iteration =   372
                           time      =   0.0540 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4503771024        9.4540565763        9.1838732606
H            11.3671823800       11.3872030912        8.6918794660
H             8.8345437791        8.7465630039        6.7959797885
H             6.9789203022       10.5575543346        9.5453477086
H            10.5661392970        6.9521238434        9.5140182173


     kinetic energy (Ekin) =           0.01469444 Ry
     temperature           =         386.67822116 K 
     Ekin + Etot (const)   =         -12.11679253 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.6744713688

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       23.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       23.9 secs

     total energy              =     -12.13010574 Ry
     estimated scf accuracy    <       0.00000965 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.21E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.9 secs

     total energy              =     -12.13010646 Ry
     estimated scf accuracy    <       0.00000284 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.9 secs

     total energy              =     -12.13010695 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.63E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       23.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3486  -4.4874  -3.8107  -2.7176

     highest occupied level (ev):    -2.7176

!    total energy              =     -12.13010704 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02534694    0.01023429   -0.03090254
     atom    2 type  2   force =     0.00288330    0.00217363   -0.00890203
     atom    3 type  2   force =    -0.02210751   -0.01871134   -0.06435045
     atom    4 type  2   force =    -0.00755216    0.00329998   -0.04007636
     atom    5 type  2   force =     0.00142942    0.00300344    0.01944889

     Total force =     0.094009     Total SCF correction =     0.000073

     Entering Dynamics:    iteration =   373
                           time      =   0.0541 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4505189357        9.4539706663        9.1817499666
H            11.3662954206       11.3871259900        8.6856408399
H             8.8326756526        8.7468278118        6.8018948427
H             6.9772201770       10.5587530471        9.5391951805
H            10.5666109793        6.9531502916        9.5078491563


     kinetic energy (Ekin) =           0.01458796 Ry
     temperature           =         383.87612923 K 
     Ekin + Etot (const)   =         -12.11551908 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7215693851

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       24.0 secs

     total energy              =     -12.12874875 Ry
     estimated scf accuracy    <       0.00000878 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.0 secs

     total energy              =     -12.12874947 Ry
     estimated scf accuracy    <       0.00000265 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.0 secs

     total energy              =     -12.12874993 Ry
     estimated scf accuracy    <       0.00000029 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3531  -4.4882  -3.8148  -2.7168

     highest occupied level (ev):    -2.7168

!    total energy              =     -12.12875001 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02557047    0.01228154   -0.02682237
     atom    2 type  2   force =     0.00287923    0.00214273   -0.00896076
     atom    3 type  2   force =    -0.02315521   -0.01989441   -0.06998189
     atom    4 type  2   force =    -0.00700756    0.00310880   -0.03748997
     atom    5 type  2   force =     0.00171308    0.00236134    0.02144124

     Total force =     0.096846     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   374
                           time      =   0.0543 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4506697589        9.4538890743        9.1796172425
H            11.3654368919       11.3870700472        8.6793137313
H             8.8305788814        8.7468961735        6.8071188649
H             6.9754508561       10.5599824573        9.5326724599
H            10.5670995773        6.9542000567        9.5018918155


     kinetic energy (Ekin) =           0.01447784 Ry
     temperature           =         380.97837654 K 
     Ekin + Etot (const)   =         -12.11427216 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.7678061783

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       24.1 secs

     total energy              =     -12.12743393 Ry
     estimated scf accuracy    <       0.00000824 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.1 secs

     total energy              =     -12.12743458 Ry
     estimated scf accuracy    <       0.00000250 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.1 secs

     total energy              =     -12.12743512 Ry
     estimated scf accuracy    <       0.00000033 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.16E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.1 secs

     total energy              =     -12.12743513 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3573  -4.4893  -3.8184  -2.7155

     highest occupied level (ev):    -2.7155

!    total energy              =     -12.12743515 Ry
     estimated scf accuracy    <          6.8E-09 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02571801    0.01425403   -0.02316694
     atom    2 type  2   force =     0.00286041    0.00209642   -0.00904352
     atom    3 type  2   force =    -0.02411205   -0.02099717   -0.07424901
     atom    4 type  2   force =    -0.00645250    0.00291161   -0.03417806
     atom    5 type  2   force =     0.00198614    0.00173511    0.02307723

     Total force =     0.098937     Total SCF correction =     0.000049

     Entering Dynamics:    iteration =   375
                           time      =   0.0544 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4508296241        9.4538124936        9.1774763733
H            11.3646066081       11.3870348052        8.6728973231
H             8.8282440171        8.7467572001        6.8116097199
H             6.9736178204       10.5612406180        9.5258122502
H            10.5676077873        6.9552669551        9.4961623494


     kinetic energy (Ekin) =           0.01438017 Ry
     temperature           =         378.40833773 K 
     Ekin + Etot (const)   =         -12.11305498 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8126888114

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.29E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.2 secs

     total energy              =     -12.12617936 Ry
     estimated scf accuracy    <       0.00000871 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.09E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.2 secs

     total energy              =     -12.12618017 Ry
     estimated scf accuracy    <       0.00000205 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.2 secs

     total energy              =     -12.12618057 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.02E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3611  -4.4900  -3.8221  -2.7133

     highest occupied level (ev):    -2.7133

!    total energy              =     -12.12618063 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02574444    0.01612115   -0.01995603
     atom    2 type  2   force =     0.00281976    0.00202722   -0.00909851
     atom    3 type  2   force =    -0.02494658   -0.02198548   -0.07722023
     atom    4 type  2   force =    -0.00586473    0.00271620   -0.03019675
     atom    5 type  2   force =     0.00224711    0.00112091    0.02438290

     Total force =     0.100194     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =   376
                           time      =   0.0546 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4509985405        9.4537415808        9.1753284880
H            11.3638041678       11.3870195810        8.6663910722
H             8.8256628195        8.7464011324        6.8153380684
H             6.9717268738       10.5625255996        9.5186538645
H            10.5681381863        6.9563449218        9.4906736507


     kinetic energy (Ekin) =           0.01430789 Ry
     temperature           =         376.50617075 K 
     Ekin + Etot (const)   =         -12.11187274 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8557479842

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.3 secs

     total energy              =     -12.12500170 Ry
     estimated scf accuracy    <       0.00000790 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.87E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.3 secs

     total energy              =     -12.12500254 Ry
     estimated scf accuracy    <       0.00000191 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.3 secs

     total energy              =     -12.12500290 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3642  -4.4906  -3.8249  -2.7103

     highest occupied level (ev):    -2.7103

!    total energy              =     -12.12500296 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02567335    0.01788048   -0.01721950
     atom    2 type  2   force =     0.00276310    0.00194299   -0.00916821
     atom    3 type  2   force =    -0.02567493   -0.02287578   -0.07868450
     atom    4 type  2   force =    -0.00526152    0.00252234   -0.02570263
     atom    5 type  2   force =     0.00250000    0.00052997    0.02531299

     Total force =     0.100432     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   377
                           time      =   0.0547 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4511764831        9.4536769545        9.1731745487
H            11.3630290116       11.3870235427        8.6597942904
H             8.8228280963        8.7458191791        6.8182894517
H             6.9697839726       10.5638354878        9.5112416798
H            10.5686932713        6.9574281217        9.4854349037


     kinetic energy (Ekin) =           0.01427063 Ry
     temperature           =         375.52567243 K 
     Ekin + Etot (const)   =         -12.11073233 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.8965386967

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.4 secs

     total energy              =     -12.12391494 Ry
     estimated scf accuracy    <       0.00000748 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.35E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.4 secs

     total energy              =     -12.12391577 Ry
     estimated scf accuracy    <       0.00000184 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.4 secs

     total energy              =     -12.12391612 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.05E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3668  -4.4911  -3.8271  -2.7065

     highest occupied level (ev):    -2.7065

!    total energy              =     -12.12391618 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02548806    0.01951426   -0.01499323
     atom    2 type  2   force =     0.00268750    0.00184077   -0.00924009
     atom    3 type  2   force =    -0.02628048   -0.02364925   -0.07856527
     atom    4 type  2   force =    -0.00463570    0.00232822   -0.02080702
     atom    5 type  2   force =     0.00274061   -0.00003400    0.02587323

     Total force =     0.099551     Total SCF correction =     0.000058

     Entering Dynamics:    iteration =   378
                           time      =   0.0549 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4513633868        9.4536191889        9.1710153381
H            11.3622803930       11.3870456809        8.6531062680
H             8.8197338681        8.7450037028        6.8204650471
H             6.9677952964       10.5651683660        9.5036240375
H            10.5692754184        6.9585109859        9.4804516402


     kinetic energy (Ekin) =           0.01427502 Ry
     temperature           =         375.64114194 K 
     Ekin + Etot (const)   =         -12.10964116 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9346376164

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.5 secs

     total energy              =     -12.12293002 Ry
     estimated scf accuracy    <       0.00000723 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.04E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.5 secs

     total energy              =     -12.12293083 Ry
     estimated scf accuracy    <       0.00000182 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.28E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.5 secs

     total energy              =     -12.12293118 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.15E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3688  -4.4916  -3.8289  -2.7021

     highest occupied level (ev):    -2.7021

!    total energy              =     -12.12293123 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02517704    0.02101087   -0.01327564
     atom    2 type  2   force =     0.00259657    0.00172152   -0.00931503
     atom    3 type  2   force =    -0.02675404   -0.02429548   -0.07675112
     atom    4 type  2   force =    -0.00398758    0.00213322   -0.01564659
     atom    5 type  2   force =     0.00296801   -0.00057012    0.02605054

     Total force =     0.097457     Total SCF correction =     0.000066

     Entering Dynamics:    iteration =   379
                           time      =   0.0550 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4515591421        9.4535688103        9.1688514601
H            11.3615574140       11.3870848181        8.6463262648
H             8.8163754588        8.7439483222        6.8218827682
H             6.9657672451       10.5665223086        9.4958518938
H            10.5698868730        6.9595882205        9.4757256111


     kinetic energy (Ekin) =           0.01432370 Ry
     temperature           =         376.92234340 K 
     Ekin + Etot (const)   =         -12.10860752 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.9696382857

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.6 secs

     total energy              =     -12.12205428 Ry
     estimated scf accuracy    <       0.00000716 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.95E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.6 secs

     total energy              =     -12.12205508 Ry
     estimated scf accuracy    <       0.00000184 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.6 secs

     total energy              =     -12.12205543 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.34E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3703  -4.4919  -3.8301  -2.6970

     highest occupied level (ev):    -2.6970

!    total energy              =     -12.12205546 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02474984    0.02237335   -0.01209533
     atom    2 type  2   force =     0.00248634    0.00158473   -0.00938892
     atom    3 type  2   force =    -0.02710145   -0.02482164   -0.07313526
     atom    4 type  2   force =    -0.00331671    0.00193578   -0.01033452
     atom    5 type  2   force =     0.00318197   -0.00107223    0.02585354

     Total force =     0.094111     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   380
                           time      =   0.0552 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4517635990        9.4535262976        9.1666833296
H            11.3608589863       11.3871396038        8.6394535513
H             8.8127494379        8.7426478418        6.8225783198
H             6.9637064432       10.5678953659        9.4879777026
H            10.5705297476        6.9606548674        9.4712548712


     kinetic energy (Ekin) =           0.01441536 Ry
     temperature           =         379.33414685 K 
     Ekin + Etot (const)   =         -12.10764010 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0011454734

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.7 secs

     total energy              =     -12.12129110 Ry
     estimated scf accuracy    <       0.00000725 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.06E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.7 secs

     total energy              =     -12.12129188 Ry
     estimated scf accuracy    <       0.00000189 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.7 secs

     total energy              =     -12.12129226 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.60E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.7 secs

     total energy              =     -12.12129226 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.58E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3712  -4.4924  -3.8310  -2.6917

     highest occupied level (ev):    -2.6917

!    total energy              =     -12.12129228 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02420641    0.02359410   -0.01141062
     atom    2 type  2   force =     0.00238364    0.00145183   -0.00950064
     atom    3 type  2   force =    -0.02732739   -0.02522169   -0.06756086
     atom    4 type  2   force =    -0.00266208    0.00174615   -0.00502795
     atom    5 type  2   force =     0.00339943   -0.00157038    0.02526791

     Total force =     0.089477     Total SCF correction =     0.000119

     Entering Dynamics:    iteration =   381
                           time      =   0.0553 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4519765663        9.4534920802        9.1645111874
H            11.3601840957       11.3872087253        8.6324870243
H             8.8088535744        8.7410983113        6.8226067458
H             6.9616193548       10.5692856654        9.4800538632
H            10.5712061897        6.9617060077        9.4670336377


     kinetic energy (Ekin) =           0.01454499 Ry
     temperature           =         382.74529528 K 
     Ekin + Etot (const)   =         -12.10674729 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0287703459

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.8 secs

     total energy              =     -12.12063963 Ry
     estimated scf accuracy    <       0.00000634 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.92E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.8 secs

     total energy              =     -12.12064048 Ry
     estimated scf accuracy    <       0.00000176 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.20E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.8 secs

     total energy              =     -12.12064079 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.21E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.8 secs

     total energy              =     -12.12064076 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3716  -4.4926  -3.8314  -2.6856

     highest occupied level (ev):    -2.6856

!    total energy              =     -12.12064078 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02354360    0.02468107   -0.01122298
     atom    2 type  2   force =     0.00224828    0.00129101   -0.00958601
     atom    3 type  2   force =    -0.02742587   -0.02550400   -0.06007650
     atom    4 type  2   force =    -0.00195431    0.00154617    0.00022836
     atom    5 type  2   force =     0.00358831   -0.00201425    0.02431357

     Total force =     0.083751     Total SCF correction =     0.000146

     Entering Dynamics:    iteration =   382
                           time      =   0.0554 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4521978111        9.4534665401        9.1623350994
H            11.3595314056       11.3872905950        8.6254258408
H             8.8046868958        8.7392969433        6.8220419502
H             6.9595129686       10.5706912325        9.4721322788
H            10.5719180643        6.9627372583        9.4630524870


     kinetic energy (Ekin) =           0.01470369 Ry
     temperature           =         386.92161477 K 
     Ekin + Etot (const)   =         -12.10593709 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0521282944

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       24.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.9 secs

     total energy              =     -12.12009487 Ry
     estimated scf accuracy    <       0.00000638 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.97E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       24.9 secs

     total energy              =     -12.12009572 Ry
     estimated scf accuracy    <       0.00000181 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.26E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.9 secs

     total energy              =     -12.12009603 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.27E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.9 secs

     total energy              =     -12.12009599 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.95E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       24.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3715  -4.4926  -3.8313  -2.6789

     highest occupied level (ev):    -2.6789

!    total energy              =     -12.12009602 Ry
     estimated scf accuracy    <       0.00000001 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02277813    0.02564248   -0.01145774
     atom    2 type  2   force =     0.00208960    0.00110776   -0.00966817
     atom    3 type  2   force =    -0.02741487   -0.02568197   -0.05063202
     atom    4 type  2   force =    -0.00121666    0.00134515    0.00531623
     atom    5 type  2   force =     0.00376380   -0.00241342    0.02298411

     Total force =     0.077209     Total SCF correction =     0.000059

     Entering Dynamics:    iteration =   383
                           time      =   0.0556 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4524270641        9.4534500153        9.1601549832
H            11.3588993491       11.3873834031        8.6182691895
H             8.8002495108        8.7372419801        6.8209771917
H             6.9573945686       10.5721100822        9.4642631891
H            10.5726671043        6.9637446778        9.4592982916


     kinetic energy (Ekin) =           0.01487941 Ry
     temperature           =         391.54540567 K 
     Ekin + Etot (const)   =         -12.10521662 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0708410097

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.69E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.0 secs

     total energy              =     -12.11964792 Ry
     estimated scf accuracy    <       0.00000688 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.60E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.0 secs

     total energy              =     -12.11964874 Ry
     estimated scf accuracy    <       0.00000193 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.42E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.1 secs

     total energy              =     -12.11964906 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.52E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.1 secs

     total energy              =     -12.11964904 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.74E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3708  -4.4923  -3.8310  -2.6718

     highest occupied level (ev):    -2.6718

!    total energy              =     -12.11964906 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02191656    0.02647970   -0.01206173
     atom    2 type  2   force =     0.00193353    0.00092010   -0.00977277
     atom    3 type  2   force =    -0.02730601   -0.02575807   -0.03920746
     atom    4 type  2   force =    -0.00048350    0.00115102    0.01013380
     atom    5 type  2   force =     0.00393942   -0.00279275    0.02128216

     Total force =     0.070384     Total SCF correction =     0.000119

     Entering Dynamics:    iteration =   384
                           time      =   0.0557 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4526640226        9.4534428003        9.1579706263
H            11.3582863852       11.3874852968        8.6110160376
H             8.7955424942        8.7349326706        6.8195252817
H             6.9552713943       10.5735402975        9.4564941651
H            10.5734550438        6.9647245204        9.4557542455


     kinetic energy (Ekin) =           0.01505890 Ry
     temperature           =         396.26879243 K 
     Ekin + Etot (const)   =         -12.10459016 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0845441835

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.2 secs

     total energy              =     -12.11928622 Ry
     estimated scf accuracy    <       0.00000678 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.47E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.2 secs

     total energy              =     -12.11928706 Ry
     estimated scf accuracy    <       0.00000195 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.44E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.2 secs

     total energy              =     -12.11928735 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.33E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.2 secs

     total energy              =     -12.11928734 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  5     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.36E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3698  -4.4920  -3.8304  -2.6644

     highest occupied level (ev):    -2.6644

!    total energy              =     -12.11928736 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   5 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02098566    0.02721911   -0.01298219
     atom    2 type  2   force =     0.00175471    0.00071358   -0.00987448
     atom    3 type  2   force =    -0.02711811   -0.02575981   -0.02595215
     atom    4 type  2   force =     0.00028112    0.00095130    0.01463951
     atom    5 type  2   force =     0.00409663   -0.00312418    0.01922037

     Total force =     0.064301     Total SCF correction =     0.000094

     Entering Dynamics:    iteration =   385
                           time      =   0.0559 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4529083592        9.4534451549        9.1557817051
H            11.3576907480       11.3875942366        8.6036653808
H             8.7905677016        8.7323689973        6.8178171087
H             6.9531509959       10.5749799065        9.4488696979
H            10.5742834352        6.9656735135        9.4523999898


     kinetic energy (Ekin) =           0.01522917 Ry
     temperature           =         400.74927467 K 
     Ekin + Etot (const)   =         -12.10405819 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0929019862

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.3 secs

     total energy              =     -12.11899416 Ry
     estimated scf accuracy    <       0.00000708 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.85E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.3 secs

     total energy              =     -12.11899500 Ry
     estimated scf accuracy    <       0.00000204 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.3 secs

     total energy              =     -12.11899528 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.39E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3688  -4.4917  -3.8298  -2.6567

     highest occupied level (ev):    -2.6567

!    total energy              =     -12.11899529 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01999997    0.02787680   -0.01412959
     atom    2 type  2   force =     0.00153852    0.00047272   -0.00995635
     atom    3 type  2   force =    -0.02686858   -0.02570570   -0.01111480
     atom    4 type  2   force =     0.00110364    0.00074026    0.01879865
     atom    5 type  2   force =     0.00422645   -0.00338408    0.01680890

     Total force =     0.060430     Total SCF correction =     0.000130

     Entering Dynamics:    iteration =   386
                           time      =   0.0560 pico-seconds


     Velocity rescaling: T ( 400.7K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4531267945        9.4534569930        9.1538828490
H            11.3571905855       11.3876931608        8.5972071657
H             8.7859981221        8.7298970384        6.8162294187
H             6.9513272922       10.5762327879        9.4424585175
H            10.5750419061        6.9664611811        9.4496638144


     kinetic energy (Ekin) =           0.01152104 Ry
     temperature           =         303.17137537 K 
     Ekin + Etot (const)   =         -12.10747425 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6783753727

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.4 secs

     total energy              =     -12.11879421 Ry
     estimated scf accuracy    <       0.00000627 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.84E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.4 secs

     total energy              =     -12.11879479 Ry
     estimated scf accuracy    <       0.00000169 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.4 secs

     total energy              =     -12.11879505 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.30E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3674  -4.4912  -3.8292  -2.6498

     highest occupied level (ev):    -2.6498

!    total energy              =     -12.11879508 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01911856    0.02838302   -0.01525811
     atom    2 type  2   force =     0.00137086    0.00028068   -0.01006430
     atom    3 type  2   force =    -0.02662136   -0.02562050    0.00442255
     atom    4 type  2   force =     0.00178380    0.00056939    0.02102679
     atom    5 type  2   force =     0.00434813   -0.00361259    0.01334491

     Total force =     0.059561     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   387
                           time      =   0.0562 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4533519515        9.4534788100        9.1519786286
H            11.3567039596       11.3877948566        8.5906495713
H             8.7811656717        8.7271720914        6.8146853989
H             6.9495212026       10.5774912919        9.4362549648
H            10.5758433123        6.9672131764        9.4470594126


     kinetic energy (Ekin) =           0.01163807 Ry
     temperature           =         306.25110602 K 
     Ekin + Etot (const)   =         -12.10715700 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6757731229

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.5 secs

     total energy              =     -12.11862625 Ry
     estimated scf accuracy    <       0.00000619 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.73E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.5 secs

     total energy              =     -12.11862684 Ry
     estimated scf accuracy    <       0.00000170 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.5 secs

     total energy              =     -12.11862709 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.19E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3659  -4.4907  -3.8287  -2.6429

     highest occupied level (ev):    -2.6429

!    total energy              =     -12.11862712 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01823785    0.02885226   -0.01643012
     atom    2 type  2   force =     0.00118700    0.00007512   -0.01018120
     atom    3 type  2   force =    -0.02636395   -0.02552386    0.02078105
     atom    4 type  2   force =     0.00247652    0.00040165    0.02291965
     atom    5 type  2   force =     0.00446258   -0.00380518    0.00955648

     Total force =     0.063054     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   388
                           time      =   0.0563 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4535835206        9.4535107708        9.1500686316
H            11.3562290546       11.3878972941        8.5839914433
H             8.7760728921        8.7241951106        6.8133465803
H             6.9477395672       10.5787537619        9.4302777308
H            10.5766887840        6.9679275977        9.4445493756


     kinetic energy (Ekin) =           0.01174896 Ry
     temperature           =         309.16911932 K 
     Ekin + Etot (const)   =         -12.10687816 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6682510520

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.6 secs

     total energy              =     -12.11846922 Ry
     estimated scf accuracy    <       0.00000625 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.81E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.6 secs

     total energy              =     -12.11846982 Ry
     estimated scf accuracy    <       0.00000172 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.16E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.6 secs

     total energy              =     -12.11847006 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.08E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3643  -4.4900  -3.8285  -2.6359

     highest occupied level (ev):    -2.6359

!    total energy              =     -12.11847010 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01737999    0.02930869   -0.01755205
     atom    2 type  2   force =     0.00099688   -0.00013755   -0.01031106
     atom    3 type  2   force =    -0.02612087   -0.02543981    0.03743992
     atom    4 type  2   force =     0.00317247    0.00023816    0.02446619
     atom    5 type  2   force =     0.00457154   -0.00396949    0.00549232

     Total force =     0.070592     Total SCF correction =     0.000064

     Entering Dynamics:    iteration =   389
                           time      =   0.0565 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4538212000        9.4535530360        9.1481524638
H            11.3557639932       11.3879983735        8.5772314993
H             8.7707221836        8.7209669260        6.8123774597
H             6.9459892582       10.5800185837        9.4245420867
H            10.5775793971        6.9686028225        9.4420935723


     kinetic energy (Ekin) =           0.01186181 Ry
     temperature           =         312.13867861 K 
     Ekin + Etot (const)   =         -12.10660829 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6558420800

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.28E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.7 secs

     total energy              =     -12.11830166 Ry
     estimated scf accuracy    <       0.00000624 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.80E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.7 secs

     total energy              =     -12.11830228 Ry
     estimated scf accuracy    <       0.00000174 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.18E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.7 secs

     total energy              =     -12.11830251 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.01E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3628  -4.4892  -3.8288  -2.6289

     highest occupied level (ev):    -2.6289

!    total energy              =     -12.11830255 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01657527    0.02977561   -0.01853641
     atom    2 type  2   force =     0.00079418   -0.00035835   -0.01045548
     atom    3 type  2   force =    -0.02592159   -0.02539440    0.05379148
     atom    4 type  2   force =     0.00387292    0.00008012    0.02566314
     atom    5 type  2   force =     0.00467923   -0.00410298    0.00121073

     Total force =     0.080865     Total SCF correction =     0.000061

     Entering Dynamics:    iteration =   390
                           time      =   0.0566 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4540647070        9.4536057696        9.1462297789
H            11.3553067738       11.3880959143        8.5703683134
H             8.7651155139        8.7174879860        6.8119394999
H             6.9442771920       10.5812841966        9.4190598518
H            10.5785162149        6.9692375327        9.4396497243


     kinetic energy (Ekin) =           0.01199381 Ry
     temperature           =         315.61217997 K 
     Ekin + Etot (const)   =         -12.10630874 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6387404330

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.41E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.8 secs

     total energy              =     -12.11810263 Ry
     estimated scf accuracy    <       0.00000618 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.72E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.8 secs

     total energy              =     -12.11810324 Ry
     estimated scf accuracy    <       0.00000180 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.25E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.8 secs

     total energy              =     -12.11810349 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3617  -4.4885  -3.8297  -2.6221

     highest occupied level (ev):    -2.6221

!    total energy              =     -12.11810350 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01586293    0.03029383   -0.01929644
     atom    2 type  2   force =     0.00056273   -0.00060527   -0.01060682
     atom    3 type  2   force =    -0.02578142   -0.02540725    0.06915931
     atom    4 type  2   force =     0.00457840   -0.00007727    0.02650500
     atom    5 type  2   force =     0.00477736   -0.00420405   -0.00321739

     Total force =     0.092317     Total SCF correction =     0.000117

     Entering Dynamics:    iteration =   391
                           time      =   0.0567 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4543137911        9.4536691539        9.1443003098
H            11.3548551111       11.3881874785        8.5634003910
H             8.7592542672        8.7137581637        6.8121844495
H             6.9426103350       10.5825490465        9.4138393388
H            10.5795002065        6.9698307302        9.4371741063


     kinetic energy (Ekin) =           0.01217044 Ry
     temperature           =         320.26003096 K 
     Ekin + Etot (const)   =         -12.10593307 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6173247239

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       25.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.01E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.9 secs

     total energy              =     -12.11785221 Ry
     estimated scf accuracy    <       0.00000669 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.36E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.9 secs

     total energy              =     -12.11785282 Ry
     estimated scf accuracy    <       0.00000191 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.38E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       25.9 secs

     total energy              =     -12.11785310 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.31E-09,  avg # of iterations =  1.0

     total cpu time spent up to now is       25.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3607  -4.4876  -3.8311  -2.6153

     highest occupied level (ev):    -2.6153

!    total energy              =     -12.11785312 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01524078    0.03085594   -0.01970151
     atom    2 type  2   force =     0.00034504   -0.00084168   -0.01079032
     atom    3 type  2   force =    -0.02574472   -0.02551033    0.08284368
     atom    4 type  2   force =     0.00527755   -0.00022220    0.02698039
     atom    5 type  2   force =     0.00488135   -0.00428173   -0.00771862

     Total force =     0.103557     Total SCF correction =     0.000106

     Entering Dynamics:    iteration =   392
                           time      =   0.0569 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4545682335        9.4537433864        9.1423639141
H            11.3544068555       11.3882707316        8.5563259203
H             8.7531388059        8.7097764413        6.8132474338
H             6.9409955908       10.5838117023        9.4088852419
H            10.5805323987        6.9703816481        9.4346222713


     kinetic energy (Ekin) =           0.01242316 Ry
     temperature           =         326.91039282 K 
     Ekin + Etot (const)   =         -12.10542995 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.5921702367

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.0 secs

     total energy              =     -12.11753211 Ry
     estimated scf accuracy    <       0.00000689 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.61E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       26.0 secs

     total energy              =     -12.11753276 Ry
     estimated scf accuracy    <       0.00000197 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.0 secs

     total energy              =     -12.11753304 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.27E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3599  -4.4866  -3.8332  -2.6085

     highest occupied level (ev):    -2.6085

!    total energy              =     -12.11753307 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01476407    0.03151569   -0.01976787
     atom    2 type  2   force =     0.00011442   -0.00108841   -0.01098144
     atom    3 type  2   force =    -0.02581218   -0.02571547    0.09421833
     atom    4 type  2   force =     0.00594493   -0.00035848    0.02709403
     atom    5 type  2   force =     0.00498876   -0.00435332   -0.01218540

     Total force =     0.113535     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   393
                           time      =   0.0570 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4548278666        9.4538286992        9.1404205684
H            11.3539597296       11.3883432372        8.5491430140
H             8.7467684637        8.7055407929        6.8152407712
H             6.9394395495       10.5850708183        9.4041986834
H            10.5816138522        6.9708895795        9.4319501123


     kinetic energy (Ekin) =           0.01278545 Ry
     temperature           =         336.44391354 K 
     Ekin + Etot (const)   =         -12.10474762 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.5640468756

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.1 secs

     total energy              =     -12.11712595 Ry
     estimated scf accuracy    <       0.00000721 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.02E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       26.1 secs

     total energy              =     -12.11712667 Ry
     estimated scf accuracy    <       0.00000208 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.1 secs

     total energy              =     -12.11712693 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.20E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3596  -4.4857  -3.8362  -2.6020

     highest occupied level (ev):    -2.6020

!    total energy              =     -12.11712698 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01443539    0.03226817   -0.01936433
     atom    2 type  2   force =    -0.00011670   -0.00133365   -0.01121295
     atom    3 type  2   force =    -0.02602280   -0.02604789    0.10266442
     atom    4 type  2   force =     0.00660638   -0.00048455    0.02684600
     atom    5 type  2   force =     0.00509774   -0.00440207   -0.01653268

     Total force =     0.121372     Total SCF correction =     0.000073

     Entering Dynamics:    iteration =   394
                           time      =   0.0572 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4550925749        9.4539253568        9.1384704146
H            11.3535114514       11.3884025737        8.5418493860
H             8.7401411610        8.7010479363        6.8182478622
H             6.9379487424       10.5863251495        9.3997772140
H            10.5827456429        6.9713540428        9.4291147024


     kinetic energy (Ekin) =           0.01328772 Ry
     temperature           =         349.66084975 K 
     Ekin + Etot (const)   =         -12.10383926 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.5339009829

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.28E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.2 secs

     total energy              =     -12.11661971 Ry
     estimated scf accuracy    <       0.00000758 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.48E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       26.2 secs

     total energy              =     -12.11662051 Ry
     estimated scf accuracy    <       0.00000222 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.77E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.2 secs

     total energy              =     -12.11662077 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.13E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3598  -4.4847  -3.8402  -2.5956

     highest occupied level (ev):    -2.5956

!    total energy              =     -12.11662082 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01427785    0.03313842   -0.01847959
     atom    2 type  2   force =    -0.00035853   -0.00158843   -0.01146258
     atom    3 type  2   force =    -0.02638049   -0.02651559    0.10772413
     atom    4 type  2   force =     0.00725178   -0.00060109    0.02623207
     atom    5 type  2   force =     0.00520939   -0.00443331   -0.02065275

     Total force =     0.126473     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   395
                           time      =   0.0573 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4553623030        9.4540336652        9.1365137638
H            11.3530596329       11.3884462254        8.5344425715
H             8.7332533658        8.6962932531        6.8223186684
H             6.9365295426       10.5875735454        9.3956147716
H            10.5839288734        6.9717747296        9.4260753581


     kinetic energy (Ekin) =           0.01395204 Ry
     temperature           =         367.14202675 K 
     Ekin + Etot (const)   =         -12.10266879 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.5028206603

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.3 secs

     total energy              =     -12.11600206 Ry
     estimated scf accuracy    <       0.00000827 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       26.3 secs

     total energy              =     -12.11600295 Ry
     estimated scf accuracy    <       0.00000243 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.3 secs

     total energy              =     -12.11600323 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.16E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3607  -4.4838  -3.8452  -2.5893

     highest occupied level (ev):    -2.5893

!    total energy              =     -12.11600328 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01430699    0.03413683   -0.01709032
     atom    2 type  2   force =    -0.00061456   -0.00185507   -0.01173274
     atom    3 type  2   force =    -0.02689846   -0.02712871    0.10909516
     atom    4 type  2   force =     0.00787913   -0.00070490    0.02525644
     atom    5 type  2   force =     0.00532690   -0.00444814   -0.02443940

     Total force =     0.128494     Total SCF correction =     0.000121

     Entering Dynamics:    iteration =   396
                           time      =   0.0575 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4556370611        9.4541539753        9.1345511044
H            11.3526017460       11.3884715594        8.5269199029
H             8.7260999635        8.6912706891        6.8274667281
H             6.9351881448       10.5888149807        9.3917017223
H            10.5851647041        6.9721514936        9.4227946886


     kinetic energy (Ekin) =           0.01478751 Ry
     temperature           =         389.12706707 K 
     Ekin + Etot (const)   =         -12.10121577 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.4719862055

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       26.4 secs

     total energy              =     -12.11526467 Ry
     estimated scf accuracy    <       0.00000842 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.05E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.4 secs

     total energy              =     -12.11526586 Ry
     estimated scf accuracy    <       0.00000282 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.53E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.4 secs

     total energy              =     -12.11526614 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.11E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3620  -4.4828  -3.8514  -2.5829

     highest occupied level (ev):    -2.5829

!    total energy              =     -12.11526618 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01453151    0.03527023   -0.01519798
     atom    2 type  2   force =    -0.00089449   -0.00214315   -0.01201278
     atom    3 type  2   force =    -0.02757537   -0.02788533    0.10665359
     atom    4 type  2   force =     0.00848450   -0.00079137    0.02392690
     atom    5 type  2   force =     0.00545386   -0.00445038   -0.02778459

     Total force =     0.127340     Total SCF correction =     0.000067

     Entering Dynamics:    iteration =   397
                           time      =   0.0576 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4559169282        9.4542866857        9.1325831018
H            11.3521350265       11.3884757309        8.5192786147
H             8.7186742699        8.6859727731        6.8336679321
H             6.9339305266       10.5900486017        9.3880249377
H            10.5864543885        6.9724843125        9.4192396617


     kinetic energy (Ekin) =           0.01578740 Ry
     temperature           =         415.43883761 K 
     Ekin + Etot (const)   =         -12.09947878 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.4426097759

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       26.5 secs

     total energy              =     -12.11440335 Ry
     estimated scf accuracy    <       0.00001000 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.25E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.5 secs

     total energy              =     -12.11440462 Ry
     estimated scf accuracy    <       0.00000327 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.5 secs

     total energy              =     -12.11440496 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.57E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3639  -4.4819  -3.8585  -2.5765

     highest occupied level (ev):    -2.5765

!    total energy              =     -12.11440502 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01495624    0.03653279   -0.01281427
     atom    2 type  2   force =    -0.00116505   -0.00242061   -0.01233401
     atom    3 type  2   force =    -0.02843466   -0.02880205    0.10054833
     atom    4 type  2   force =     0.00905793   -0.00086624    0.02223248
     atom    5 type  2   force =     0.00558554   -0.00444389   -0.03060406

     Total force =     0.123266     Total SCF correction =     0.000073

     Entering Dynamics:    iteration =   398
                           time      =   0.0578 pico-seconds


     Velocity rescaling: T ( 415.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4561600122        9.4544123047        9.1309062250
H            11.3517269129       11.3884553737        8.5126634008
H             8.7120832793        8.6811863000        6.8399304565
H             6.9329512684       10.5910883559        9.3851200088
H            10.5876054921        6.9727232548        9.4159164691


     kinetic energy (Ekin) =           0.01230218 Ry
     temperature           =         323.72680305 K 
     Ekin + Etot (const)   =         -12.10210284 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.0510725653

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       26.6 secs

     total energy              =     -12.11354924 Ry
     estimated scf accuracy    <       0.00000834 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.04E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.6 secs

     total energy              =     -12.11355027 Ry
     estimated scf accuracy    <       0.00000271 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.39E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.6 secs

     total energy              =     -12.11355055 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.06E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3660  -4.4813  -3.8655  -2.5710

     highest occupied level (ev):    -2.5710

!    total energy              =     -12.11355060 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01551081    0.03772818   -0.01033561
     atom    2 type  2   force =    -0.00140044   -0.00265952   -0.01263646
     atom    3 type  2   force =    -0.02933231   -0.02972665    0.09420893
     atom    4 type  2   force =     0.00951540   -0.00091412    0.01932444
     atom    5 type  2   force =     0.00570654   -0.00442790   -0.03396576

     Total force =     0.119288     Total SCF correction =     0.000068

     Entering Dynamics:    iteration =   399
                           time      =   0.0579 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4564085496        9.4545511881        9.1292257145
H            11.3513049708       11.3884087552        8.5059234089
H             8.7052026486        8.6761062930        6.8471232412
H             6.9320659695       10.5921190837        9.3824058980
H            10.5888129444        6.9729184741        9.4122578837


     kinetic energy (Ekin) =           0.01339451 Ry
     temperature           =         352.47087559 K 
     Ekin + Etot (const)   =         -12.10015610 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.0278930655

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       26.8 secs

     total energy              =     -12.11257140 Ry
     estimated scf accuracy    <       0.00000960 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.20E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.8 secs

     total energy              =     -12.11257256 Ry
     estimated scf accuracy    <       0.00000310 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.88E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.8 secs

     total energy              =     -12.11257288 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.28E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3686  -4.4806  -3.8735  -2.5653

     highest occupied level (ev):    -2.5653

!    total energy              =     -12.11257293 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01625625    0.03904139   -0.00744574
     atom    2 type  2   force =    -0.00164409   -0.00290455   -0.01296252
     atom    3 type  2   force =    -0.03038793   -0.03078710    0.08472133
     atom    4 type  2   force =     0.00994088   -0.00094626    0.01604661
     atom    5 type  2   force =     0.00583488   -0.00440347   -0.03664359

     Total force =     0.113250     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   400
                           time      =   0.0581 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4566628022        9.4547037976        9.1275425862
H            11.3508667941       11.3883334559        8.4990554195
H             8.6980219543        8.6707222806        6.8551526014
H             6.9312788311       10.5931404677        9.3798502384
H            10.5900780130        6.9730702117        9.4082374634


     kinetic energy (Ekin) =           0.01458431 Ry
     temperature           =         383.78008296 K 
     Ekin + Etot (const)   =         -12.09798862 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.0090846351

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       26.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       26.9 secs

     total energy              =     -12.11147371 Ry
     estimated scf accuracy    <       0.00001093 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.9 secs

     total energy              =     -12.11147501 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.9 secs

     total energy              =     -12.11147536 Ry
     estimated scf accuracy    <       0.00000020 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.54E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       26.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3717  -4.4801  -3.8823  -2.5593

     highest occupied level (ev):    -2.5593

!    total energy              =     -12.11147542 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01718337    0.04045903   -0.00420365
     atom    2 type  2   force =    -0.00189402   -0.00315363   -0.01331571
     atom    3 type  2   force =    -0.03159294   -0.03197316    0.07254439
     atom    4 type  2   force =     0.01033216   -0.00096172    0.01242341
     atom    5 type  2   force =     0.00597142   -0.00437052   -0.03855483

     Total force =     0.105958     Total SCF correction =     0.000082

     Entering Dynamics:    iteration =   401
                           time      =   0.0582 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4569230962        9.4548706316        9.1258579800
H            11.3504099151       11.3882270163        8.4920559448
H             8.6905292974        8.6650225513        6.8638982968
H             6.9305937171       10.5941523552        9.3774172530
H            10.5914020461        6.9731787927        9.4038363358


     kinetic energy (Ekin) =           0.01582906 Ry
     temperature           =         416.53526030 K 
     Ekin + Etot (const)   =         -12.09564636 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.9954703183

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.0 secs

     total energy              =     -12.11026444 Ry
     estimated scf accuracy    <       0.00001227 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.53E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.0 secs

     total energy              =     -12.11026589 Ry
     estimated scf accuracy    <       0.00000394 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.0 secs

     total energy              =     -12.11026628 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.79E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3752  -4.4797  -3.8920  -2.5528

     highest occupied level (ev):    -2.5528

!    total energy              =     -12.11026635 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01827747    0.04196250   -0.00068732
     atom    2 type  2   force =    -0.00214988   -0.00340647   -0.01369569
     atom    3 type  2   force =    -0.03293051   -0.03326739    0.05824689
     atom    4 type  2   force =     0.01068719   -0.00095973    0.00849118
     atom    5 type  2   force =     0.00611572   -0.00432891   -0.03963767

     Total force =     0.098476     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   402
                           time      =   0.0583 pico-seconds


     Velocity rescaling: T ( 416.5K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4571504238        9.4550269704        9.1244280771
H            11.3500009504       11.3881030481        8.4859805196
H             8.6838453942        8.6598569109        6.8718955911
H             6.9301178169       10.5950016289        9.3754363164
H            10.5925860918        6.9732281958        9.3997098664


     kinetic energy (Ekin) =           0.01238464 Ry
     temperature           =         325.89665966 K 
     Ekin + Etot (const)   =         -12.09788171 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6864975952

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.1 secs

     total energy              =     -12.10914443 Ry
     estimated scf accuracy    <       0.00000990 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.24E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.1 secs

     total energy              =     -12.10914559 Ry
     estimated scf accuracy    <       0.00000318 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.97E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.1 secs

     total energy              =     -12.10914591 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.21E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3785  -4.4794  -3.9008  -2.5467

     highest occupied level (ev):    -2.5467

!    total energy              =     -12.10914596 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01934485    0.04329435    0.00248685
     atom    2 type  2   force =    -0.00237065   -0.00362257   -0.01404699
     atom    3 type  2   force =    -0.03417180   -0.03444818    0.04664660
     atom    4 type  2   force =     0.01095173   -0.00094010    0.00363326
     atom    5 type  2   force =     0.00624586   -0.00428350   -0.04134763

     Total force =     0.094351     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   403
                           time      =   0.0585 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4573845526        9.4551985306        9.1229990485
H            11.3495685769       11.3879433090        8.4797663882
H             8.6768240638        8.6543511141        6.8803534945
H             6.9297500589       10.5958416196        9.3734912562
H            10.5938318120        6.9732353017        9.3951751124


     kinetic energy (Ekin) =           0.01345357 Ry
     temperature           =         354.02515154 K 
     Ekin + Etot (const)   =         -12.09569239 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.6846058179

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.2 secs

     total energy              =     -12.10794106 Ry
     estimated scf accuracy    <       0.00001097 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.2 secs

     total energy              =     -12.10794233 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.2 secs

     total energy              =     -12.10794268 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.41E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3820  -4.4793  -3.9103  -2.5400

     highest occupied level (ev):    -2.5400

!    total energy              =     -12.10794274 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02053233    0.04466070    0.00576847
     atom    2 type  2   force =    -0.00259664   -0.00384225   -0.01442068
     atom    3 type  2   force =    -0.03549225   -0.03568656    0.03386410
     atom    4 type  2   force =     0.01117566   -0.00090248   -0.00145502
     atom    5 type  2   force =     0.00638090   -0.00422941   -0.04215264

     Total force =     0.091226     Total SCF correction =     0.000085

     Entering Dynamics:    iteration =   404
                           time      =   0.0586 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4576259002        9.4553857925        9.1215720481
H            11.3491105631       11.3877456299        8.4734098608
H             8.6694522673        8.6484929326        6.8891457869
H             6.9294926543       10.5966726989        9.3715318286
H            10.5951405399        6.9732006445        9.3902241248


     kinetic energy (Ekin) =           0.01451738 Ry
     temperature           =         382.01873089 K 
     Ekin + Etot (const)   =         -12.09342536 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6885477572

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.3 secs

     total energy              =     -12.10666914 Ry
     estimated scf accuracy    <       0.00001195 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.3 secs

     total energy              =     -12.10667055 Ry
     estimated scf accuracy    <       0.00000384 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.79E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.3 secs

     total energy              =     -12.10667093 Ry
     estimated scf accuracy    <       0.00000021 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.59E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3856  -4.4793  -3.9202  -2.5326

     highest occupied level (ev):    -2.5326

!    total energy              =     -12.10667099 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02181649    0.04603523    0.00907301
     atom    2 type  2   force =    -0.00282645   -0.00406406   -0.01481888
     atom    3 type  2   force =    -0.03686894   -0.03696029    0.02041554
     atom    4 type  2   force =     0.01135830   -0.00084594   -0.00668868
     atom    5 type  2   force =     0.00652061   -0.00416494   -0.04202708

     Total force =     0.089802     Total SCF correction =     0.000088

     Entering Dynamics:    iteration =   405
                           time      =   0.0588 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4578749179        9.4555892394        9.1201482374
H            11.3486246396       11.3875078205        8.4669070053
H             8.6617164107        8.6422697891        6.8981396713
H             6.9293474065       10.5974954249        9.3695063540
H            10.5965136551        6.9731248609        9.3848581434


     kinetic energy (Ekin) =           0.01555421 Ry
     temperature           =         409.30248147 K 
     Ekin + Etot (const)   =         -12.09111678 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6983806034

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.4 secs

     total energy              =     -12.10534660 Ry
     estimated scf accuracy    <       0.00001282 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.4 secs

     total energy              =     -12.10534814 Ry
     estimated scf accuracy    <       0.00000413 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.16E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.4 secs

     total energy              =     -12.10534854 Ry
     estimated scf accuracy    <       0.00000022 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.73E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3894  -4.4795  -3.9304  -2.5243

     highest occupied level (ev):    -2.5243

!    total energy              =     -12.10534861 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02317071    0.04738837    0.01230711
     atom    2 type  2   force =    -0.00305961   -0.00428771   -0.01524071
     atom    3 type  2   force =    -0.03827261   -0.03824216    0.00680706
     atom    4 type  2   force =     0.01149813   -0.00076987   -0.01196677
     atom    5 type  2   force =     0.00666338   -0.00408862   -0.04097388

     Total force =     0.090463     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   406
                           time      =   0.0589 pico-seconds


     Velocity rescaling: T ( 409.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4580962552        9.4557800767        9.1189336010
H            11.3481784152       11.3872618866        8.4611892384
H             8.6547156108        8.6365643650        6.9059067988
H             6.9293365934       10.5981921813        9.3676541244
H            10.5977550140        6.9730196075        9.3798595851


     kinetic energy (Ekin) =           0.01219026 Ry
     temperature           =         320.78151769 K 
     Ekin + Etot (const)   =         -12.09315835 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4686956196

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.5 secs

     total energy              =     -12.10418770 Ry
     estimated scf accuracy    <       0.00001004 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.25E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.5 secs

     total energy              =     -12.10418893 Ry
     estimated scf accuracy    <       0.00000325 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.5 secs

     total energy              =     -12.10418924 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.10E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3926  -4.4798  -3.9393  -2.5163

     highest occupied level (ev):    -2.5163

!    total energy              =     -12.10418929 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02436456    0.04848927    0.01492083
     atom    2 type  2   force =    -0.00326037   -0.00447906   -0.01562675
     atom    3 type  2   force =    -0.03946681   -0.03931633   -0.00282132
     atom    4 type  2   force =     0.01157507   -0.00068464   -0.01778139
     atom    5 type  2   force =     0.00678755   -0.00400924   -0.04075471

     Total force =     0.093421     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   407
                           time      =   0.0591 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4583261585        9.4559879617        9.1177242103
H            11.3476999965       11.3869717245        8.4553171663
H             8.6473250983        8.6304707142        6.9136460673
H             6.9294400776       10.5988821772        9.3656263135
H            10.5990633962        6.9728747652        9.3744585970


     kinetic energy (Ekin) =           0.01302806 Ry
     temperature           =         342.82806875 K 
     Ekin + Etot (const)   =         -12.09116123 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.4895325949

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.6 secs

     total energy              =     -12.10301636 Ry
     estimated scf accuracy    <       0.00001067 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.33E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.6 secs

     total energy              =     -12.10301770 Ry
     estimated scf accuracy    <       0.00000347 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.34E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.6 secs

     total energy              =     -12.10301804 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.20E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3957  -4.4803  -3.9484  -2.5073

     highest occupied level (ev):    -2.5073

!    total energy              =     -12.10301809 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02556951    0.04950687    0.01730363
     atom    2 type  2   force =    -0.00346363   -0.00467208   -0.01603159
     atom    3 type  2   force =    -0.04062139   -0.04033970   -0.01201232
     atom    4 type  2   force =     0.01160529   -0.00057917   -0.02342216
     atom    5 type  2   force =     0.00691023   -0.00391593   -0.03963819

     Total force =     0.097132     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   408
                           time      =   0.0592 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4585650515        9.4562132523        9.1165209033
H            11.3471873763       11.3866354282        8.4492867912
H             8.6395334723        8.6239787315        6.9212667209
H             6.9296581575       10.5995664543        9.3633672221
H            10.6004400129        6.9726912553        9.3686662040


     kinetic energy (Ekin) =           0.01387140 Ry
     temperature           =         365.02011205 K 
     Ekin + Etot (const)   =         -12.08914669 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000    0.0000000000   -1.5150070880

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.7 secs

     total energy              =     -12.10184858 Ry
     estimated scf accuracy    <       0.00001125 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.41E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.7 secs

     total energy              =     -12.10185005 Ry
     estimated scf accuracy    <       0.00000368 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.7 secs

     total energy              =     -12.10185040 Ry
     estimated scf accuracy    <       0.00000018 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.28E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.3987  -4.4809  -3.9575  -2.4973

     highest occupied level (ev):    -2.4973

!    total energy              =     -12.10185045 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02676054    0.05041494    0.01939050
     atom    2 type  2   force =    -0.00366795   -0.00486546   -0.01645699
     atom    3 type  2   force =    -0.04171168   -0.04129040   -0.02048374
     atom    4 type  2   force =     0.01158866   -0.00045251   -0.02874287
     atom    5 type  2   force =     0.00703043   -0.00380656   -0.03766224

     Total force =     0.101238     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   409
                           time      =   0.0594 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4588133530        9.4564562677        9.1153244136
H            11.3466385372       11.3862510883        8.4430939125
H             8.6313299669        8.6170790293        6.9286851091
H             6.9299906689       10.6002462630        9.3608243108
H            10.6018860512        6.9724701578        9.3625019175


     kinetic energy (Ekin) =           0.01472614 Ry
     temperature           =         387.51214666 K 
     Ekin + Etot (const)   =         -12.08712432 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000    0.0000000000   -1.5445863330

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       27.8 secs

     total energy              =     -12.10070013 Ry
     estimated scf accuracy    <       0.00001181 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.8 secs

     total energy              =     -12.10070172 Ry
     estimated scf accuracy    <       0.00000389 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.8 secs

     total energy              =     -12.10070208 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.35E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       27.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4015  -4.4817  -3.9665  -2.4862

     highest occupied level (ev):    -2.4862

!    total energy              =     -12.10070214 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02791318    0.05118769    0.02111867
     atom    2 type  2   force =    -0.00387269   -0.00505885   -0.01690226
     atom    3 type  2   force =    -0.04271070   -0.04214548   -0.02799623
     atom    4 type  2   force =     0.01152415   -0.00030409   -0.03359389
     atom    5 type  2   force =     0.00714606   -0.00367927   -0.03488923

     Total force =     0.105352     Total SCF correction =     0.000077

     Entering Dynamics:    iteration =   410
                           time      =   0.0595 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4590714681        9.4567172797        9.1141353487
H            11.3460514574       11.3858167950        8.4367341336
H             8.6227047174        8.6097631641        6.9358270502
H             6.9304369749       10.6009230689        9.3579496788
H            10.6034026529        6.9722127295        9.3559931195


     kinetic energy (Ekin) =           0.01560094 Ry
     temperature           =         410.53221028 K 
     Ekin + Etot (const)   =         -12.08510120 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000    0.0000000000   -1.5776272607

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       27.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.0 secs

     total energy              =     -12.09958630 Ry
     estimated scf accuracy    <       0.00001238 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.55E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.0 secs

     total energy              =     -12.09958803 Ry
     estimated scf accuracy    <       0.00000411 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.13E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.0 secs

     total energy              =     -12.09958841 Ry
     estimated scf accuracy    <       0.00000019 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.42E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4040  -4.4827  -3.9753  -2.4740

     highest occupied level (ev):    -2.4740

!    total energy              =     -12.09958847 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02900292    0.05180043    0.02243366
     atom    2 type  2   force =    -0.00407668   -0.00525158   -0.01736753
     atom    3 type  2   force =    -0.04359177   -0.04288274   -0.03435212
     atom    4 type  2   force =     0.01141135   -0.00013428   -0.03783019
     atom    5 type  2   force =     0.00725418   -0.00353183   -0.03140595

     Total force =     0.109113     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   411
                           time      =   0.0596 pico-seconds


     Velocity rescaling: T ( 410.5K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4593023132        9.4569586161        9.1131267706
H            11.3455093407       11.3853936854        8.4311260184
H             8.6149010279        8.6030857957        6.9415930899
H             6.9309311776       10.6015003067        9.3551187642
H            10.6047707421        6.9719577935        9.3501189947


     kinetic energy (Ekin) =           0.01211938 Ry
     temperature           =         318.91639904 K 
     Ekin + Etot (const)   =         -12.08746910 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -1.3818867404

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.1 secs

     total energy              =     -12.09868281 Ry
     estimated scf accuracy    <       0.00000955 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.19E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.1 secs

     total energy              =     -12.09868417 Ry
     estimated scf accuracy    <       0.00000319 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.98E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.1 secs

     total energy              =     -12.09868447 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.82E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4058  -4.4837  -3.9827  -2.4625

     highest occupied level (ev):    -2.4625

!    total energy              =     -12.09868451 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02984985    0.05214344    0.02311287
     atom    2 type  2   force =    -0.00424845   -0.00541362   -0.01778559
     atom    3 type  2   force =    -0.04420787   -0.04338005   -0.03686422
     atom    4 type  2   force =     0.01126707    0.00003442   -0.04227947
     atom    5 type  2   force =     0.00733939   -0.00338418   -0.02933376

     Total force =     0.111997     Total SCF correction =     0.000068

     Entering Dynamics:    iteration =   412
                           time      =   0.0598 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4595436528        9.4572182851        9.1121263184
H            11.3449252730       11.3849171194        8.4253422805
H             8.6066608106        8.5959800737        6.9469951160
H             6.9315366363       10.6020778843        9.3518703635
H            10.6062113036        6.9716694407        9.3439552155


     kinetic energy (Ekin) =           0.01295297 Ry
     temperature           =         340.85207388 K 
     Ekin + Etot (const)   =         -12.08573154 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4197002968

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.2 secs

     total energy              =     -12.09783165 Ry
     estimated scf accuracy    <       0.00001015 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.2 secs

     total energy              =     -12.09783314 Ry
     estimated scf accuracy    <       0.00000340 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.26E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.2 secs

     total energy              =     -12.09783345 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.88E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4073  -4.4849  -3.9898  -2.4498

     highest occupied level (ev):    -2.4498

!    total energy              =     -12.09783350 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03060027    0.05229347    0.02332419
     atom    2 type  2   force =    -0.00441919   -0.00557549   -0.01821863
     atom    3 type  2   force =    -0.04466677   -0.04373001   -0.03808876
     atom    4 type  2   force =     0.01107235    0.00022610   -0.04586618
     atom    5 type  2   force =     0.00741334   -0.00321407   -0.02666623

     Total force =     0.113835     Total SCF correction =     0.000069

     Entering Dynamics:    iteration =   413
                           time      =   0.0599 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4597957508        9.4574963394        9.1111340666
H            11.3442975681       11.3843854985        8.4193786439
H             8.5979795341        8.5884425423        6.9520210371
H             6.9322514282       10.6026576946        9.3481690601
H            10.6077250678        6.9713493507        9.3375281222


     kinetic energy (Ekin) =           0.01386768 Ry
     temperature           =         364.92212881 K 
     Ekin + Etot (const)   =         -12.08396582 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4588251330

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.3 secs

     total energy              =     -12.09703639 Ry
     estimated scf accuracy    <       0.00001083 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.3 secs

     total energy              =     -12.09703803 Ry
     estimated scf accuracy    <       0.00000365 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.3 secs

     total energy              =     -12.09703835 Ry
     estimated scf accuracy    <       0.00000015 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.94E-09,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4085  -4.4862  -3.9966  -2.4360

     highest occupied level (ev):    -2.4360

!    total energy              =     -12.09703841 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03124381    0.05224209    0.02306402
     atom    2 type  2   force =    -0.00458703   -0.00573532   -0.01866951
     atom    3 type  2   force =    -0.04496045   -0.04392770   -0.03799426
     atom    4 type  2   force =     0.01082830    0.00044120   -0.04846790
     atom    5 type  2   force =     0.00747536   -0.00302027   -0.02348241

     Total force =     0.114532     Total SCF correction =     0.000070

     Entering Dynamics:    iteration =   414
                           time      =   0.0601 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4600588335        9.4577927609        9.1101499236
H            11.3436245690       11.3837972446        8.4132306564
H             8.5888542984        8.5804712495        6.9566717861
H             6.9330731435       10.6032418615        9.3439891634
H            10.6093126470        6.9709994372        9.3308691532


     kinetic energy (Ekin) =           0.01486722 Ry
     temperature           =         391.22460700 K 
     Ekin + Etot (const)   =         -12.08217119 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4983999465

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.4 secs

     total energy              =     -12.09629783 Ry
     estimated scf accuracy    <       0.00001161 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.45E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.4 secs

     total energy              =     -12.09629962 Ry
     estimated scf accuracy    <       0.00000392 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.89E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.4 secs

     total energy              =     -12.09629997 Ry
     estimated scf accuracy    <       0.00000016 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.00E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4094  -4.4877  -4.0031  -2.4211

     highest occupied level (ev):    -2.4211

!    total energy              =     -12.09630002 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03176959    0.05198546    0.02238026
     atom    2 type  2   force =    -0.00474869   -0.00589127   -0.01915094
     atom    3 type  2   force =    -0.04508414   -0.04397228   -0.03659461
     atom    4 type  2   force =     0.01053825    0.00067862   -0.05000146
     atom    5 type  2   force =     0.00752499   -0.00280053   -0.01988156

     Total force =     0.114076     Total SCF correction =     0.000071

     Entering Dynamics:    iteration =   415
                           time      =   0.0602 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4603330857        9.4581074593        9.1091736490
H            11.3429046791       11.3831508176        8.4068935640
H             8.5792838821        8.5720657552        6.9609611840
H             6.9339989181       10.6038327293        9.3393155304
H            10.6109745313        6.9706218701        9.3240138651


     kinetic energy (Ekin) =           0.01595125 Ry
     temperature           =         419.75050099 K 
     Ekin + Etot (const)   =         -12.08034878 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.5375496415

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.5 secs

     total energy              =     -12.09561457 Ry
     estimated scf accuracy    <       0.00001248 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.56E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.5 secs

     total energy              =     -12.09561651 Ry
     estimated scf accuracy    <       0.00000421 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.27E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.5 secs

     total energy              =     -12.09561689 Ry
     estimated scf accuracy    <       0.00000017 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.09E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4098  -4.4893  -4.0093  -2.4050

     highest occupied level (ev):    -2.4050

!    total energy              =     -12.09561695 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03218344    0.05152079    0.02120357
     atom    2 type  2   force =    -0.00490905   -0.00604603   -0.01963871
     atom    3 type  2   force =    -0.04503079   -0.04385955   -0.03390735
     atom    4 type  2   force =     0.01019784    0.00094057   -0.05039065
     atom    5 type  2   force =     0.00755855   -0.00255578   -0.01593621

     Total force =     0.112468     Total SCF correction =     0.000074

     Entering Dynamics:    iteration =   416
                           time      =   0.0604 pico-seconds


     Velocity rescaling: T ( 419.8K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4605762550        9.4583916207        9.1083557559
H            11.3422476063       11.3825446236        8.4013422307
H             8.5707483468        8.5645266165        6.9642526480
H             6.9348822710       10.6043415398        9.3348668364
H            10.6124541336        6.9702774359        9.3180610064


     kinetic energy (Ekin) =           0.01231107 Ry
     temperature           =         323.96060072 K 
     Ekin + Etot (const)   =         -12.08330588 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3347195192

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.6 secs

     total energy              =     -12.09508870 Ry
     estimated scf accuracy    <       0.00000975 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.22E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.6 secs

     total energy              =     -12.09509022 Ry
     estimated scf accuracy    <       0.00000329 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.11E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.6 secs

     total energy              =     -12.09509050 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4099  -4.4909  -4.0143  -2.3905

     highest occupied level (ev):    -2.3905

!    total energy              =     -12.09509055 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03242027    0.05093010    0.01978880
     atom    2 type  2   force =    -0.00503910   -0.00617142   -0.02007324
     atom    3 type  2   force =    -0.04482018   -0.04362146   -0.02864536
     atom    4 type  2   force =     0.00986481    0.00118601   -0.05133753
     atom    5 type  2   force =     0.00757420   -0.00232322   -0.01386169

     Total force =     0.110564     Total SCF correction =     0.000070

     Entering Dynamics:    iteration =   417
                           time      =   0.0605 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4608308226        9.4586936880        9.1075448201
H            11.3415407751       11.3818774903        8.3955926854
H             8.5617702374        8.5565567404        6.9672612552
H             6.9358630333       10.6048620615        9.3299112133
H            10.6140085269        6.9699100613        9.3119712712


     kinetic energy (Ekin) =           0.01338020 Ry
     temperature           =         352.09447936 K 
     Ekin + Etot (const)   =         -12.08171035 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3708692117

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.7 secs

     total energy              =     -12.09460283 Ry
     estimated scf accuracy    <       0.00001069 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.34E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.7 secs

     total energy              =     -12.09460450 Ry
     estimated scf accuracy    <       0.00000360 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.7 secs

     total energy              =     -12.09460481 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.59E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4097  -4.4925  -4.0191  -2.3749

     highest occupied level (ev):    -2.3749

!    total energy              =     -12.09460486 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03255281    0.05015091    0.01799136
     atom    2 type  2   force =    -0.00516427   -0.00629503   -0.02052200
     atom    3 type  2   force =    -0.04444675   -0.04324480   -0.02228324
     atom    4 type  2   force =     0.00948606    0.00145370   -0.05110410
     atom    5 type  2   force =     0.00757215   -0.00206477   -0.01153804

     Total force =     0.107827     Total SCF correction =     0.000073

     Entering Dynamics:    iteration =   418
                           time      =   0.0607 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4610968351        9.4590133873        9.1067402097
H            11.3407829496       11.3811481970        8.3896404970
H             8.5523532414        8.5481598461        6.9700498280
H             6.9369374651       10.6053969376        9.3244509658
H            10.6156376909        6.9695222981        9.3057676044


     kinetic energy (Ekin) =           0.01453651 Ry
     temperature           =         382.52212855 K 
     Ekin + Etot (const)   =         -12.08006835 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4049164067

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.8 secs

     total energy              =     -12.09414636 Ry
     estimated scf accuracy    <       0.00001169 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.8 secs

     total energy              =     -12.09414818 Ry
     estimated scf accuracy    <       0.00000393 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.8 secs

     total energy              =     -12.09414852 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.70E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4092  -4.4944  -4.0236  -2.3584

     highest occupied level (ev):    -2.3584

!    total energy              =     -12.09414857 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03259100    0.04919887    0.01586042
     atom    2 type  2   force =    -0.00528372   -0.00641487   -0.02098981
     atom    3 type  2   force =    -0.04392615   -0.04274670   -0.01497582
     atom    4 type  2   force =     0.00906424    0.00174401   -0.04969733
     atom    5 type  2   force =     0.00755463   -0.00178132   -0.00902159

     Total force =     0.104507     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   419
                           time      =   0.0608 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4613743058        9.4593503839        9.1059411755
H            11.3399729503       11.3803555606        8.3834810459
H             8.5425024993        8.5393408522        6.9726905228
H             6.9381014013       10.6059490349        9.3184999850
H            10.6173414526        6.9691169455        9.2994748545


     kinetic energy (Ekin) =           0.01576694 Ry
     temperature           =         414.90050631 K 
     Ekin + Etot (const)   =         -12.07838163 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4360939371

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       28.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       28.9 secs

     total energy              =     -12.09370736 Ry
     estimated scf accuracy    <       0.00001274 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.59E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       28.9 secs

     total energy              =     -12.09370935 Ry
     estimated scf accuracy    <       0.00000429 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.36E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.0 secs

     total energy              =     -12.09370972 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.81E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4085  -4.4963  -4.0280  -2.3410

     highest occupied level (ev):    -2.3410

!    total energy              =     -12.09370977 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03254698    0.04809094    0.01344880
     atom    2 type  2   force =    -0.00539717   -0.00653073   -0.02147735
     atom    3 type  2   force =    -0.04327342   -0.04214294   -0.00692038
     atom    4 type  2   force =     0.00860184    0.00205622   -0.04716428
     atom    5 type  2   force =     0.00752177   -0.00147349   -0.00636815

     Total force =     0.100918     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   420
                           time      =   0.0610 pico-seconds


     Velocity rescaling: T ( 414.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4616216910        9.4596538507        9.1052664593
H            11.3392308878       11.3796170690        8.3780313894
H             8.5336987950        8.5314256395        6.9748676560
H             6.9391760721       10.6064388050        9.3129739535
H            10.6188644894        6.9687577111        9.2940610444


     kinetic energy (Ekin) =           0.01241686 Ry
     temperature           =         326.74441084 K 
     Ekin + Etot (const)   =         -12.08129292 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2465647363

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.1 secs

     total energy              =     -12.09334149 Ry
     estimated scf accuracy    <       0.00001016 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.1 secs

     total energy              =     -12.09334306 Ry
     estimated scf accuracy    <       0.00000342 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.27E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.1 secs

     total energy              =     -12.09334335 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.42E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4078  -4.4981  -4.0317  -2.3254

     highest occupied level (ev):    -2.3254

!    total energy              =     -12.09334339 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03244618    0.04701754    0.01117124
     atom    2 type  2   force =    -0.00548589   -0.00662320   -0.02191378
     atom    3 type  2   force =    -0.04261139   -0.04154780    0.00229289
     atom    4 type  2   force =     0.00817099    0.00234295   -0.04564931
     atom    5 type  2   force =     0.00748012   -0.00118949   -0.00542594

     Total force =     0.098653     Total SCF correction =     0.000069

     Entering Dynamics:    iteration =   421
                           time      =   0.0611 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4618804835        9.4599738478        9.1045956706
H            11.3384346552       11.3788131770        8.3723653465
H             8.5244743272        8.5231001656        6.9770674301
H             6.9403314268       10.6069517105        9.3069971606
H            10.6204613881        6.9683867312        9.2885936561


     kinetic energy (Ekin) =           0.01357238 Ry
     temperature           =         357.15155688 K 
     Ekin + Etot (const)   =         -12.07977101 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2705659123

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.2 secs

     total energy              =     -12.09296703 Ry
     estimated scf accuracy    <       0.00001114 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.2 secs

     total energy              =     -12.09296875 Ry
     estimated scf accuracy    <       0.00000375 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.69E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.2 secs

     total energy              =     -12.09296906 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.53E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4069  -4.5001  -4.0354  -2.3090

     highest occupied level (ev):    -2.3090

!    total energy              =     -12.09296911 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03229830    0.04583377    0.00872770
     atom    2 type  2   force =    -0.00556984   -0.00671324   -0.02237082
     atom    3 type  2   force =    -0.04185785   -0.04088753    0.01177986
     atom    4 type  2   force =     0.00770388    0.00265086   -0.04311367
     atom    5 type  2   force =     0.00742551   -0.00088385   -0.00438701

     Total force =     0.096745     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   422
                           time      =   0.0612 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4621506314        9.4603099592        9.1039279504
H            11.3375834236       11.3779429954        8.3664784044
H             8.5148365366        8.5143709503        6.9793835238
H             6.9415628530       10.6074907917        9.3005946444
H            10.6221316095        6.9680070237        9.2830829487


     kinetic energy (Ekin) =           0.01478695 Ry
     temperature           =         389.11245183 K 
     Ekin + Etot (const)   =         -12.07818216 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2909825711

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.3 secs

     total energy              =     -12.09257088 Ry
     estimated scf accuracy    <       0.00001215 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.52E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.3 secs

     total energy              =     -12.09257275 Ry
     estimated scf accuracy    <       0.00000410 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.3 secs

     total energy              =     -12.09257309 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4060  -4.5021  -4.0391  -2.2919

     highest occupied level (ev):    -2.2919

!    total energy              =     -12.09257315 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03212117    0.04456330    0.00617607
     atom    2 type  2   force =    -0.00564751   -0.00679899   -0.02285073
     atom    3 type  2   force =    -0.04103661   -0.04018406    0.02124005
     atom    4 type  2   force =     0.00720377    0.00297869   -0.03964184
     atom    5 type  2   force =     0.00735917   -0.00055894   -0.00327302

     Total force =     0.095412     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   423
                           time      =   0.0614 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4624320725        9.4606617380        9.1032624016
H            11.3366764259       11.3770056777        8.3603658241
H             8.5047935326        8.5052449400        6.9819093510
H             6.9428654124       10.6080592858        9.2938006873
H            10.6238744986        6.9676217970        9.2775399219


     kinetic energy (Ekin) =           0.01605040 Ry
     temperature           =         422.35954032 K 
     Ekin + Etot (const)   =         -12.07652275 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3074288352

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.4 secs

     total energy              =     -12.09214095 Ry
     estimated scf accuracy    <       0.00001318 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.4 secs

     total energy              =     -12.09214298 Ry
     estimated scf accuracy    <       0.00000445 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.57E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.4 secs

     total energy              =     -12.09214335 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.77E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4051  -4.5043  -4.0430  -2.2741

     highest occupied level (ev):    -2.2741

!    total energy              =     -12.09214341 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03193100    0.04322832    0.00357287
     atom    2 type  2   force =    -0.00571904   -0.00688051   -0.02335450
     atom    3 type  2   force =    -0.04016827   -0.03945642    0.03035235
     atom    4 type  2   force =     0.00667398    0.00332520   -0.03534612
     atom    5 type  2   force =     0.00728234   -0.00021660   -0.00210566

     Total force =     0.094766     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   424
                           time      =   0.0615 pico-seconds


     Velocity rescaling: T ( 422.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4626804945        9.4609734119        9.1027027398
H            11.3358555449       11.3761477745        8.3549835889
H             8.4959327482        8.4971640180        6.9843378059
H             6.9440290984       10.6085712415        9.2877257838
H            10.6254152975        6.9672949929        9.2728475211


     kinetic energy (Ekin) =           0.01241433 Ry
     temperature           =         326.67788165 K 
     Ekin + Etot (const)   =         -12.07972908 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1129885024

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.5 secs

     total energy              =     -12.09173759 Ry
     estimated scf accuracy    <       0.00001026 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.5 secs

     total energy              =     -12.09173917 Ry
     estimated scf accuracy    <       0.00000347 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.34E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.5 secs

     total energy              =     -12.09173946 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4043  -4.5063  -4.0465  -2.2585

     highest occupied level (ev):    -2.2585

!    total energy              =     -12.09173951 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03177776    0.04206517    0.00137410
     atom    2 type  2   force =    -0.00577171   -0.00694311   -0.02380527
     atom    3 type  2   force =    -0.03941699   -0.03884353    0.03946726
     atom    4 type  2   force =     0.00620115    0.00363512   -0.03270660
     atom    5 type  2   force =     0.00720978    0.00008635   -0.00254225

     Total force =     0.096070     Total SCF correction =     0.000069

     Entering Dynamics:    iteration =   425
                           time      =   0.0617 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4629400889        9.4612998751        9.1021435610
H            11.3349776714       11.3752213119        8.3493662900
H             8.4866827432        8.4886995380        6.9871559778
H             6.9452540174       10.6091190920        9.2813279211
H            10.6270272889        6.9669690415        9.2681300170


     kinetic energy (Ekin) =           0.01356397 Ry
     temperature           =         356.93014550 K 
     Ekin + Etot (const)   =         -12.07817554 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1214435930

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.6 secs

     total energy              =     -12.09128091 Ry
     estimated scf accuracy    <       0.00001117 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.6 secs

     total energy              =     -12.09128264 Ry
     estimated scf accuracy    <       0.00000380 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.75E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.6 secs

     total energy              =     -12.09128295 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.48E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4037  -4.5084  -4.0502  -2.2423

     highest occupied level (ev):    -2.2423

!    total energy              =     -12.09128300 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03164634    0.04088295   -0.00078046
     atom    2 type  2   force =    -0.00582058   -0.00700353   -0.02428095
     atom    3 type  2   force =    -0.03866016   -0.03824434    0.04760613
     atom    4 type  2   force =     0.00570355    0.00396246   -0.02939126
     atom    5 type  2   force =     0.00713085    0.00040245   -0.00293197

     Total force =     0.097679     Total SCF correction =     0.000073

     Entering Dynamics:    iteration =   426
                           time      =   0.0618 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4632108094        9.4616407118        9.1015841078
H            11.3340423230       11.3742256934        8.3435092303
H             8.4770509908        8.4798574166        6.9904442335
H             6.9465352557       10.6097060696        9.2746398361
H            10.6287096935        6.9666470640        9.2633835613


     kinetic energy (Ekin) =           0.01477516 Ry
     temperature           =         388.80212932 K 
     Ekin + Etot (const)   =         -12.07650784 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1266919583

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.7 secs

     total energy              =     -12.09076297 Ry
     estimated scf accuracy    <       0.00001214 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.52E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.7 secs

     total energy              =     -12.09076485 Ry
     estimated scf accuracy    <       0.00000414 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.18E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.7 secs

     total energy              =     -12.09076518 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.60E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4032  -4.5105  -4.0544  -2.2256

     highest occupied level (ev):    -2.2256

!    total energy              =     -12.09076524 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03155011    0.03970145   -0.00285125
     atom    2 type  2   force =    -0.00586426   -0.00706007   -0.02478371
     atom    3 type  2   force =    -0.03791792   -0.03767580    0.05445945
     atom    4 type  2   force =     0.00518479    0.00430566   -0.02549867
     atom    5 type  2   force =     0.00704728    0.00072876   -0.00326755

     Total force =     0.099286     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   427
                           time      =   0.0620 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4634926223        9.4619955067        9.1010236522
H            11.3330490682       11.3731603607        8.3374074454
H             8.4670448202        8.4706432679        6.9942702456
H             6.9478676909       10.6103355631        9.2676999662
H            10.6304616861        6.9663322826        9.2586048404


     kinetic energy (Ekin) =           0.01604678 Ry
     temperature           =         422.26425655 K 
     Ekin + Etot (const)   =         -12.07471846 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1288895057

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       29.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.8 secs

     total energy              =     -12.09017815 Ry
     estimated scf accuracy    <       0.00001314 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.64E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.8 secs

     total energy              =     -12.09018020 Ry
     estimated scf accuracy    <       0.00000450 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.63E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       29.9 secs

     total energy              =     -12.09018056 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       29.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4029  -4.5129  -4.0589  -2.2084

     highest occupied level (ev):    -2.2084

!    total energy              =     -12.09018062 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03149824    0.03853581   -0.00480642
     atom    2 type  2   force =    -0.00590321   -0.00711301   -0.02531420
     atom    3 type  2   force =    -0.03720396   -0.03714899    0.05975869
     atom    4 type  2   force =     0.00464836    0.00466311   -0.02113891
     atom    5 type  2   force =     0.00696056    0.00106308   -0.00354201

     Total force =     0.100569     Total SCF correction =     0.000081

     Entering Dynamics:    iteration =   428
                           time      =   0.0621 pico-seconds


     Velocity rescaling: T ( 422.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4637412324        9.4623081064        9.1005495626
H            11.3321535776       11.3721921705        8.3320143773
H             8.4582433982        8.4625099722        6.9980852184
H             6.9490366809       10.6109121995        9.2616417170
H            10.6320071464        6.9660774553        9.2545419516


     kinetic energy (Ekin) =           0.01243571 Ry
     temperature           =         327.24048999 K 
     Ekin + Etot (const)   =         -12.07774491 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9509017491

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.0 secs

     total energy              =     -12.08961746 Ry
     estimated scf accuracy    <       0.00001025 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.0 secs

     total energy              =     -12.08961906 Ry
     estimated scf accuracy    <       0.00000352 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.0 secs

     total energy              =     -12.08961934 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.36E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4029  -4.5150  -4.0631  -2.1935

     highest occupied level (ev):    -2.1935

!    total energy              =     -12.08961939 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03150997    0.03758628   -0.00631886
     atom    2 type  2   force =    -0.00593001   -0.00715236   -0.02579096
     atom    3 type  2   force =    -0.03664904   -0.03676164    0.06468727
     atom    4 type  2   force =     0.00418203    0.00497766   -0.01868675
     atom    5 type  2   force =     0.00688706    0.00135006   -0.00518483

     Total force =     0.102682     Total SCF correction =     0.000072

     Entering Dynamics:    iteration =   429
                           time      =   0.0623 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4640009207        9.4626339207        9.1000732514
H            11.3311995314       11.3711533547        8.3263666378
H             8.4490800875        8.4540136760        7.0025389417
H             6.9502469661       10.6115379875        9.2553989467
H            10.6336206127        6.9658359591        9.2504278654


     kinetic energy (Ekin) =           0.01362833 Ry
     temperature           =         358.62393832 K 
     Ekin + Etot (const)   =         -12.07599105 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -0.9483399356

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.1 secs

     total energy              =     -12.08898337 Ry
     estimated scf accuracy    <       0.00001121 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.1 secs

     total energy              =     -12.08898514 Ry
     estimated scf accuracy    <       0.00000387 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.84E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.1 secs

     total energy              =     -12.08898544 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4031  -4.5172  -4.0678  -2.1782

     highest occupied level (ev):    -2.1782

!    total energy              =     -12.08898549 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03158283    0.03667870   -0.00767528
     atom    2 type  2   force =    -0.00595500   -0.00719030   -0.02629520
     atom    3 type  2   force =    -0.03614500   -0.03643376    0.06767815
     atom    4 type  2   force =     0.00370272    0.00530460   -0.01587812
     atom    5 type  2   force =     0.00681446    0.00164077   -0.00674227

     Total force =     0.103842     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   430
                           time      =   0.0624 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4642717128        9.4629726304        9.0995942418
H            11.3301866829       11.3700435387        8.3204592481
H             8.4395598653        8.4451576169        7.0076609487
H             6.9514938135       10.6122161554        9.2489993889
H            10.6353013678        6.9656106645        9.2462472031


     kinetic energy (Ekin) =           0.01490284 Ry
     temperature           =         392.16193258 K 
     Ekin + Etot (const)   =         -12.07408266 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -0.9446287235

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.2 secs

     total energy              =     -12.08827538 Ry
     estimated scf accuracy    <       0.00001226 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.53E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.2 secs

     total energy              =     -12.08827732 Ry
     estimated scf accuracy    <       0.00000425 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.31E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.2 secs

     total energy              =     -12.08827765 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4036  -4.5195  -4.0730  -2.1624

     highest occupied level (ev):    -2.1624

!    total energy              =     -12.08827770 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03171883    0.03582105   -0.00886880
     atom    2 type  2   force =    -0.00597691   -0.00722536   -0.02682843
     atom    3 type  2   force =    -0.03570025   -0.03617049    0.06862427
     atom    4 type  2   force =     0.00321417    0.00564208   -0.01278477
     atom    5 type  2   force =     0.00674416    0.00193272   -0.00818224

     Total force =     0.103872     Total SCF correction =     0.000081

     Entering Dynamics:    iteration =   431
                           time      =   0.0626 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4645536567        9.4633239341        9.0991121140
H            11.3291148157       11.3688623763        8.3142869427
H             8.4296871232        8.4359443945        7.0134605818
H             6.9527723990       10.6129500357        9.2424735886
H            10.6370487177        6.9654044545        9.2419857457


     kinetic energy (Ekin) =           0.01625313 Ry
     temperature           =         427.69442345 K 
     Ekin + Etot (const)   =         -12.07202457 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000    0.0000000000   -0.9403073556

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.3 secs

     total energy              =     -12.08749539 Ry
     estimated scf accuracy    <       0.00001337 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.67E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.3 secs

     total energy              =     -12.08749752 Ry
     estimated scf accuracy    <       0.00000465 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.3 secs

     total energy              =     -12.08749788 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.76E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4043  -4.5219  -4.0787  -2.1462

     highest occupied level (ev):    -2.1462

!    total energy              =     -12.08749794 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03191486    0.03501540   -0.00990209
     atom    2 type  2   force =    -0.00599633   -0.00725788   -0.02739034
     atom    3 type  2   force =    -0.03531544   -0.03596980    0.06750789
     atom    4 type  2   force =     0.00271972    0.00598815   -0.00948102
     atom    5 type  2   force =     0.00667720    0.00222413   -0.00947372

     Total force =     0.102724     Total SCF correction =     0.000085

     Entering Dynamics:    iteration =   432
                           time      =   0.0627 pico-seconds


     Velocity rescaling: T ( 427.7K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4648010101        9.4636304677        9.0987048423
H            11.3281578979       11.3678014648        8.3088470653
H             8.4210698099        8.4278729790        7.0189844779
H             6.9538700923       10.6136238029        9.2369144976
H            10.6385780873        6.9652537120        9.2383231534


     kinetic energy (Ekin) =           0.01249174 Ry
     temperature           =         328.71504822 K 
     Ekin + Etot (const)   =         -12.07500620 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.7835342418

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.4 secs

     total energy              =     -12.08677539 Ry
     estimated scf accuracy    <       0.00001039 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.4 secs

     total energy              =     -12.08677704 Ry
     estimated scf accuracy    <       0.00000362 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.52E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.4 secs

     total energy              =     -12.08677732 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4051  -4.5241  -4.0839  -2.1323

     highest occupied level (ev):    -2.1323

!    total energy              =     -12.08677737 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03213765    0.03439631   -0.01061741
     atom    2 type  2   force =    -0.00600873   -0.00728082   -0.02789073
     atom    3 type  2   force =    -0.03505867   -0.03586659    0.06686604
     atom    4 type  2   force =     0.00230326    0.00628527   -0.00813615
     atom    5 type  2   force =     0.00662649    0.00246584   -0.01196660

     Total force =     0.102403     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   433
                           time      =   0.0628 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4650596624        9.4639490943        9.0982938377
H            11.3271416472       11.3666686592        8.3031317826
H             8.4121063119        8.4194474009        7.0251686386
H             6.9549905290       10.6143596335        9.2312750668
H            10.6401728897        6.9651273184        9.2345423975


     kinetic energy (Ekin) =           0.01374744 Ry
     temperature           =         361.75817751 K 
     Ekin + Etot (const)   =         -12.07302993 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.7798750167

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.5 secs

     total energy              =     -12.08598838 Ry
     estimated scf accuracy    <       0.00001144 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.5 secs

     total energy              =     -12.08599021 Ry
     estimated scf accuracy    <       0.00000400 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.00E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.5 secs

     total energy              =     -12.08599052 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4062  -4.5263  -4.0896  -2.1180

     highest occupied level (ev):    -2.1180

!    total energy              =     -12.08599057 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03241420    0.03383038   -0.01118944
     atom    2 type  2   force =    -0.00602169   -0.00730338   -0.02841715
     atom    3 type  2   force =    -0.03485935   -0.03581922    0.06424870
     atom    4 type  2   force =     0.00188503    0.00658844   -0.00663771
     atom    5 type  2   force =     0.00658181    0.00270378   -0.01425208

     Total force =     0.100937     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   434
                           time      =   0.0630 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4653297109        9.4642796149        9.0978788992
H            11.3260659358       11.3654637368        8.2971358965
H             8.4027985973        8.4106681283        7.0319872191
H             6.9561295792       10.6151605213        9.2255700923
H            10.6418326838        6.9650276230        9.2306209104


     kinetic energy (Ekin) =           0.01507534 Ry
     temperature           =         396.70135248 K 
     Ekin + Etot (const)   =         -12.07091523 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.7776236153

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.6 secs

     total energy              =     -12.08513933 Ry
     estimated scf accuracy    <       0.00001257 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.57E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.6 secs

     total energy              =     -12.08514135 Ry
     estimated scf accuracy    <       0.00000440 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.6 secs

     total energy              =     -12.08514168 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.65E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4075  -4.5287  -4.0957  -2.1032

     highest occupied level (ev):    -2.1032

!    total energy              =     -12.08514174 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03273554    0.03331355   -0.01163865
     atom    2 type  2   force =    -0.00603391   -0.00732407   -0.02897042
     atom    3 type  2   force =    -0.03471407   -0.03582152    0.05979930
     atom    4 type  2   force =     0.00146864    0.00689557   -0.00502023
     atom    5 type  2   force =     0.00654381    0.00293648   -0.01627683

     Total force =     0.098497     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   435
                           time      =   0.0631 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4656112685        9.4646218479        9.0974598688
H            11.3249306429       11.3641864934        8.2908539438
H             8.3931481008        8.4015351381        7.0393962842
H             6.9572831315       10.6160294989        9.2198155458
H            10.6435570944        6.9649569238        9.2265386988


     kinetic energy (Ekin) =           0.01645893 Ry
     temperature           =         433.10984417 K 
     Ekin + Etot (const)   =         -12.06868281 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.7773150845

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.8 secs

     total energy              =     -12.08423507 Ry
     estimated scf accuracy    <       0.00001374 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.72E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.8 secs

     total energy              =     -12.08423728 Ry
     estimated scf accuracy    <       0.00000482 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.03E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.8 secs

     total energy              =     -12.08423764 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.80E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4090  -4.5312  -4.1022  -2.0881

     highest occupied level (ev):    -2.0881

!    total energy              =     -12.08423770 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03308820    0.03283638   -0.01199237
     atom    2 type  2   force =    -0.00604598   -0.00734322   -0.02954920
     atom    3 type  2   force =    -0.03461191   -0.03586055    0.05373401
     atom    4 type  2   force =     0.00105704    0.00720446   -0.00331833
     atom    5 type  2   force =     0.00651265    0.00316294   -0.01799139

     Total force =     0.095352     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   436
                           time      =   0.0633 pico-seconds


     Velocity rescaling: T ( 433.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4658572321        9.4649182210        9.0971069081
H            11.3239260778       11.3630509783        8.2853339130
H             8.3847745577        8.3935799679        7.0460931824
H             6.9582536302       10.6168238585        9.2149934720
H            10.6450565696        6.9649293155        9.2229635623


     kinetic energy (Ekin) =           0.01248417 Ry
     temperature           =         328.51577545 K 
     Ekin + Etot (const)   =         -12.07175353 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.6489703501

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       30.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.9 secs

     total energy              =     -12.08343608 Ry
     estimated scf accuracy    <       0.00001053 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.32E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.9 secs

     total energy              =     -12.08343777 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       30.9 secs

     total energy              =     -12.08343805 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.38E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       30.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4104  -4.5334  -4.1079  -2.0750

     highest occupied level (ev):    -2.0750

!    total energy              =     -12.08343810 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03340235    0.03247206   -0.01221898
     atom    2 type  2   force =    -0.00605430   -0.00735568   -0.03005690
     atom    3 type  2   force =    -0.03456542   -0.03592268    0.04955199
     atom    4 type  2   force =     0.00072264    0.00746183   -0.00343664
     atom    5 type  2   force =     0.00649473    0.00334446   -0.02078165

     Total force =     0.093848     Total SCF correction =     0.000078

     Entering Dynamics:    iteration =   437
                           time      =   0.0634 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4661149393        9.4652260105        9.0967496516
H            11.3228617298       11.3618428299        8.2795170873
H             8.3760597004        8.3852700814        7.0532793788
H             6.9592312647       10.6176918994        9.2101374632
H            10.6466201767        6.9649347319        9.2191832187


     kinetic energy (Ekin) =           0.01370783 Ry
     temperature           =         360.71585550 K 
     Ekin + Etot (const)   =         -12.06973027 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.6538564997

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.0 secs

     total energy              =     -12.08259278 Ry
     estimated scf accuracy    <       0.00001155 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.0 secs

     total energy              =     -12.08259464 Ry
     estimated scf accuracy    <       0.00000407 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.0 secs

     total energy              =     -12.08259494 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4118  -4.5356  -4.1138  -2.0615

     highest occupied level (ev):    -2.0615

!    total energy              =     -12.08259500 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03372583    0.03213102   -0.01239735
     atom    2 type  2   force =    -0.00606531   -0.00736867   -0.03058560
     atom    3 type  2   force =    -0.03454126   -0.03599806    0.04409862
     atom    4 type  2   force =     0.00039614    0.00771805   -0.00348928
     atom    5 type  2   force =     0.00648462    0.00351768   -0.02317597

     Total force =     0.091909     Total SCF correction =     0.000082

     Entering Dynamics:    iteration =   438
                           time      =   0.0636 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4663845037        9.4655450967        9.0963880364
H            11.3217374903       11.3605619201        8.2733982459
H             8.3670037676        8.3766047343        7.0609010242
H             6.9602128107       10.6186361518        9.2052469996
H            10.6482478157        6.9649748833        9.2151740253


     kinetic energy (Ekin) =           0.01497574 Ry
     temperature           =         394.08042932 K 
     Ekin + Etot (const)   =         -12.06761925 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.6618237065

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.1 secs

     total energy              =     -12.08171200 Ry
     estimated scf accuracy    <       0.00001262 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.58E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.1 secs

     total energy              =     -12.08171404 Ry
     estimated scf accuracy    <       0.00000445 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.56E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.1 secs

     total energy              =     -12.08171437 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.62E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4134  -4.5380  -4.1200  -2.0476

     highest occupied level (ev):    -2.0476

!    total energy              =     -12.08171442 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03404450    0.03180259   -0.01255752
     atom    2 type  2   force =    -0.00607765   -0.00738065   -0.03113579
     atom    3 type  2   force =    -0.03452970   -0.03607510    0.03761222
     atom    4 type  2   force =     0.00008068    0.00797104   -0.00347805
     atom    5 type  2   force =     0.00648217    0.00368212   -0.02511106

     Total force =     0.089773     Total SCF correction =     0.000087

     Entering Dynamics:    iteration =   439
                           time      =   0.0637 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4666660375        9.4658753639        9.0960220063
H            11.3205532374       11.3592081305        8.2669719561
H             8.3576068734        8.3675831657        7.0688940691
H             6.9611951534       10.6196591136        9.2003221923
H            10.6499394625        6.9650513937        9.2109168744


     kinetic energy (Ekin) =           0.01627278 Ry
     temperature           =         428.21157695 K 
     Ekin + Etot (const)   =         -12.06544164 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000    0.0000000000   -0.6731149168

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.2 secs

     total energy              =     -12.08080147 Ry
     estimated scf accuracy    <       0.00001369 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.71E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.2 secs

     total energy              =     -12.08080369 Ry
     estimated scf accuracy    <       0.00000484 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  6.05E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.2 secs

     total energy              =     -12.08080404 Ry
     estimated scf accuracy    <       0.00000014 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.73E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4150  -4.5404  -4.1263  -2.0331

     highest occupied level (ev):    -2.0331

!    total energy              =     -12.08080410 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03434143    0.03147261   -0.01273183
     atom    2 type  2   force =    -0.00609186   -0.00739194   -0.03170565
     atom    3 type  2   force =    -0.03451484   -0.03613687    0.03035549
     atom    4 type  2   force =    -0.00022152    0.00821870   -0.00340438
     atom    5 type  2   force =     0.00648678    0.00383751   -0.02653362

     Total force =     0.087679     Total SCF correction =     0.000091

     Entering Dynamics:    iteration =   440
                           time      =   0.0639 pico-seconds


     Velocity rescaling: T ( 428.2K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4669137582        9.4661628665        9.0957111586
H            11.3195018504       11.3580020017        8.2612800022
H             8.3494007502        8.3596751778        7.0758840831
H             6.9620151982       10.6205964994        9.1961664555
H            10.6514194437        6.9651533270        9.2070915855


     kinetic energy (Ekin) =           0.01240918 Ry
     temperature           =         326.54255721 K 
     Ekin + Etot (const)   =         -12.06839492 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.5770998050

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.3 secs

     total energy              =     -12.08001819 Ry
     estimated scf accuracy    <       0.00001051 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.3 secs

     total energy              =     -12.08001990 Ry
     estimated scf accuracy    <       0.00000372 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.64E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.3 secs

     total energy              =     -12.08002017 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.32E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4163  -4.5426  -4.1317  -2.0206

     highest occupied level (ev):    -2.0206

!    total energy              =     -12.08002022 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03455565    0.03118491   -0.01291958
     atom    2 type  2   force =    -0.00610399   -0.00739878   -0.03220263
     atom    3 type  2   force =    -0.03449125   -0.03616417    0.02575672
     atom    4 type  2   force =    -0.00045853    0.00841947   -0.00484395
     atom    5 type  2   force =     0.00649812    0.00395857   -0.02890891

     Total force =     0.087244     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   441
                           time      =   0.0640 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4671736280        9.4664613330        9.0953957687
H            11.3183901900       11.3567228142        8.2552700654
H             8.3408540453        8.3514100890        7.0831284302
H             6.9628307153       10.6216170228        9.1919628874
H            10.6529635901        6.9652943488        9.2029808374


     kinetic energy (Ekin) =           0.01353366 Ry
     temperature           =         356.13271187 K 
     Ekin + Etot (const)   =         -12.06648656 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.5953132416

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.4 secs

     total energy              =     -12.07921518 Ry
     estimated scf accuracy    <       0.00001141 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.5 secs

     total energy              =     -12.07921705 Ry
     estimated scf accuracy    <       0.00000405 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.06E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.5 secs

     total energy              =     -12.07921735 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4176  -4.5448  -4.1370  -2.0075

     highest occupied level (ev):    -2.0075

!    total energy              =     -12.07921739 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03472402    0.03087541   -0.01316760
     atom    2 type  2   force =    -0.00612043   -0.00740696   -0.03271434
     atom    3 type  2   force =    -0.03443895   -0.03615011    0.02068489
     atom    4 type  2   force =    -0.00068060    0.00861224   -0.00620695
     atom    5 type  2   force =     0.00651595    0.00406942   -0.03068740

     Total force =     0.086773     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   442
                           time      =   0.0641 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4674457060        9.4667706547        9.0950757493
H            11.3172180937       11.3553704870        8.2489370930
H             8.3319672752        8.3427880382        7.0905770290
H             6.9636395118       10.6227225872        9.1876980291
H            10.6545720780        6.9654755540        9.1985670685


     kinetic energy (Ekin) =           0.01469346 Ry
     temperature           =         386.65233902 K 
     Ekin + Etot (const)   =         -12.06452393 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6169150677

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.6 secs

     total energy              =     -12.07839764 Ry
     estimated scf accuracy    <       0.00001235 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.54E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.6 secs

     total energy              =     -12.07839968 Ry
     estimated scf accuracy    <       0.00000439 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.48E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.6 secs

     total energy              =     -12.07840000 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4188  -4.5471  -4.1423  -1.9939

     highest occupied level (ev):    -1.9939

!    total energy              =     -12.07840005 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03483431    0.03053391   -0.01375195
     atom    2 type  2   force =    -0.00613991   -0.00741503   -0.03324122
     atom    3 type  2   force =    -0.03434857   -0.03608463    0.01532205
     atom    4 type  2   force =    -0.00088542    0.00879539   -0.00746739
     atom    5 type  2   force =     0.00653959    0.00417036   -0.03181780

     Total force =     0.086346     Total SCF correction =     0.000088

     Entering Dynamics:    iteration =   443
                           time      =   0.0643 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4677300309        9.4670907114        9.0947508950
H            11.3159853693       11.3539449405        8.2422758821
H             8.3227413322        8.3338096719        7.0981769245
H             6.9644395652       10.6239150012        9.1833594346
H            10.6562451407        6.9656979391        9.1938391168


     kinetic energy (Ekin) =           0.01588118 Ry
     temperature           =         417.90672279 K 
     Ekin + Etot (const)   =         -12.06251887 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6418615122

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.7 secs

     total energy              =     -12.07757078 Ry
     estimated scf accuracy    <       0.00001330 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.66E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.7 secs

     total energy              =     -12.07757300 Ry
     estimated scf accuracy    <       0.00000473 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.92E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.7 secs

     total energy              =     -12.07757334 Ry
     estimated scf accuracy    <       0.00000013 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.58E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4199  -4.5495  -4.1476  -1.9798

     highest occupied level (ev):    -1.9798

!    total energy              =     -12.07757340 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03487323    0.03014869   -0.01487698
     atom    2 type  2   force =    -0.00616290   -0.00742337   -0.03378149
     atom    3 type  2   force =    -0.03420644   -0.03595420    0.00984429
     atom    4 type  2   force =    -0.00107174    0.00896725   -0.00859929
     atom    5 type  2   force =     0.00656786    0.00426163   -0.03226633

     Total force =     0.086013     Total SCF correction =     0.000091

     Entering Dynamics:    iteration =   444
                           time      =   0.0644 pico-seconds


     Velocity rescaling: T ( 417.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4679831912        9.4673724850        9.0944704259
H            11.3148800658       11.3526638187        8.2362984762
H             8.3145867139        8.3258475594        7.1047132817
H             6.9651068424       10.6250138423        9.1795985678
H            10.6577275275        6.9659284402        9.1895146613


     kinetic energy (Ekin) =           0.01234729 Ry
     temperature           =         324.91374624 K 
     Ekin + Etot (const)   =         -12.06522611 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.5700411819

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.8 secs

     total energy              =     -12.07686635 Ry
     estimated scf accuracy    <       0.00001038 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.8 secs

     total energy              =     -12.07686810 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4210  -4.5516  -4.1523  -1.9677

     highest occupied level (ev):    -1.9677

!    total energy              =     -12.07686837 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03481039    0.02976188   -0.01658325
     atom    2 type  2   force =    -0.00617538   -0.00742235   -0.03424230
     atom    3 type  2   force =    -0.03400671   -0.03575419    0.00698051
     atom    4 type  2   force =    -0.00121468    0.00909157   -0.01088937
     atom    5 type  2   force =     0.00658638    0.00432308   -0.03358261

     Total force =     0.086686     Total SCF correction =     0.000194

     Entering Dynamics:    iteration =   445
                           time      =   0.0646 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4682485900        9.4676647222        9.0941841264
H            11.3137137839       11.3513094053        8.2299829468
H             8.3060962985        8.3175323944        7.1113185675
H             6.9657621252       10.6262024575        9.1757301746
H            10.6592749511        6.9662016293        9.1848585965


     kinetic energy (Ekin) =           0.01340622 Ry
     temperature           =         352.77904941 K 
     Ekin + Etot (const)   =         -12.06346216 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6015405862

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       31.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.9 secs

     total energy              =     -12.07615673 Ry
     estimated scf accuracy    <       0.00001165 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.46E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.9 secs

     total energy              =     -12.07615862 Ry
     estimated scf accuracy    <       0.00000413 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       31.9 secs

     total energy              =     -12.07615892 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       31.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4213  -4.5538  -4.1559  -1.9543

     highest occupied level (ev):    -1.9543

!    total energy              =     -12.07615897 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03469543    0.02934053   -0.01870309
     atom    2 type  2   force =    -0.00621151   -0.00743703   -0.03473419
     atom    3 type  2   force =    -0.03378362   -0.03551288    0.00414068
     atom    4 type  2   force =    -0.00132847    0.00922176   -0.01305871
     atom    5 type  2   force =     0.00662818    0.00438763   -0.03424511

     Total force =     0.087337     Total SCF correction =     0.000086

     Entering Dynamics:    iteration =   446
                           time      =   0.0647 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4685261869        9.4679672749        9.0938912513
H            11.3124861668       11.3498815553        8.2233244367
H             8.2972722889        8.3088665597        7.1179647403
H             6.9664042901       10.6274821326        9.1717328340
H            10.6608878243        6.9665181437        9.1798643804


     kinetic energy (Ekin) =           0.01451082 Ry
     temperature           =         381.84614972 K 
     Ekin + Etot (const)   =         -12.06164815 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6362126052

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.0 secs

     total energy              =     -12.07544350 Ry
     estimated scf accuracy    <       0.00001209 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.51E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.0 secs

     total energy              =     -12.07544558 Ry
     estimated scf accuracy    <       0.00000432 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.0 secs

     total energy              =     -12.07544589 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.36E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4218  -4.5560  -4.1598  -1.9408

     highest occupied level (ev):    -1.9408

!    total energy              =     -12.07544594 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03447239    0.02884784   -0.02147429
     atom    2 type  2   force =    -0.00624269   -0.00744583   -0.03522478
     atom    3 type  2   force =    -0.03346455   -0.03516719    0.00140987
     atom    4 type  2   force =    -0.00142750    0.00932896   -0.01496822
     atom    5 type  2   force =     0.00666235    0.00443622   -0.03412901

     Total force =     0.087849     Total SCF correction =     0.000087

     Entering Dynamics:    iteration =   447
                           time      =   0.0649 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4688159037        9.4682799699        9.0935908264
H            11.3111969066       11.3483801820        8.2163181017
H             8.2881178355        8.2998534686        7.1246248348
H             6.9670323592       10.6288539258        9.1675876905
H            10.6625664844        6.9668784632        9.1745331596


     kinetic energy (Ekin) =           0.01565756 Ry
     temperature           =         412.02230650 K 
     Ekin + Etot (const)   =         -12.05978837 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6738976414

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.1 secs

     total energy              =     -12.07472792 Ry
     estimated scf accuracy    <       0.00001299 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.62E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.2 secs

     total energy              =     -12.07473019 Ry
     estimated scf accuracy    <       0.00000465 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.2 secs

     total energy              =     -12.07473052 Ry
     estimated scf accuracy    <       0.00000012 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4220  -4.5583  -4.1634  -1.9267

     highest occupied level (ev):    -1.9267

!    total energy              =     -12.07473057 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03415254    0.02828977   -0.02482310
     atom    2 type  2   force =    -0.00627889   -0.00745633   -0.03572376
     atom    3 type  2   force =    -0.03306476   -0.03473051   -0.00114289
     atom    4 type  2   force =    -0.00150612    0.00942110   -0.01660208
     atom    5 type  2   force =     0.00669724    0.00447597   -0.03327322

     Total force =     0.088281     Total SCF correction =     0.000089

     Entering Dynamics:    iteration =   448
                           time      =   0.0650 pico-seconds


     Velocity rescaling: T ( 412.0K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4690751254        9.4685567377        9.0933257473
H            11.3100347842       11.3470254374        8.2099868644
H             8.2799798712        8.2918196800        7.1302965885
H             6.9675534167       10.6301175011        9.1638867154
H            10.6640650117        6.9672301205        9.1696554900


     kinetic energy (Ekin) =           0.01233783 Ry
     temperature           =         324.66499796 K 
     Ekin + Etot (const)   =         -12.06239273 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6126544631

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.3 secs

     total energy              =     -12.07411679 Ry
     estimated scf accuracy    <       0.00001027 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.3 secs

     total energy              =     -12.07411860 Ry
     estimated scf accuracy    <       0.00000367 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4225  -4.5605  -4.1667  -1.9145

     highest occupied level (ev):    -1.9145

!    total energy              =     -12.07411887 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03376931    0.02774435   -0.02871743
     atom    2 type  2   force =    -0.00630439   -0.00745913   -0.03614952
     atom    3 type  2   force =    -0.03262590   -0.03425279   -0.00148992
     atom    4 type  2   force =    -0.00155694    0.00947545   -0.01916865
     atom    5 type  2   force =     0.00671793    0.00449212   -0.03339990

     Total force =     0.089540     Total SCF correction =     0.000180

     Entering Dynamics:    iteration =   449
                           time      =   0.0652 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4693462197        9.4688432598        9.0930505719
H            11.3088104093       11.3455970382        8.2032986708
H             8.2715197444        8.2834476644        7.1359536301
H             6.9680591003       10.6314746411        9.1599964607
H            10.6656298747        6.9676261349        9.1644480151


     kinetic energy (Ekin) =           0.01339502 Ry
     temperature           =         352.48428018 K 
     Ekin + Etot (const)   =         -12.06072385 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6558714292

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.4 secs

     total energy              =     -12.07350061 Ry
     estimated scf accuracy    <       0.00001152 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.4 secs

     total energy              =     -12.07350258 Ry
     estimated scf accuracy    <       0.00000410 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.12E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.4 secs

     total energy              =     -12.07350287 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4219  -4.5625  -4.1687  -1.9010

     highest occupied level (ev):    -1.9010

!    total energy              =     -12.07350292 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03331639    0.02714372   -0.03304893
     atom    2 type  2   force =    -0.00635373   -0.00747778   -0.03659940
     atom    3 type  2   force =    -0.03214162   -0.03371820   -0.00164836
     atom    4 type  2   force =    -0.00157887    0.00953404   -0.02143311
     atom    5 type  2   force =     0.00675783    0.00451822   -0.03286880

     Total force =     0.090811     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =   450
                           time      =   0.0653 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4696290274        9.4691393251        9.0927637771
H            11.3075232950       11.3440948000        8.1962490787
H             8.2627422372        8.2747427005        7.1415943951
H             6.9685491934       10.6329259244        9.1558945662
H            10.6672614675        6.9680667643        9.1589159793


     kinetic energy (Ekin) =           0.01450778 Ry
     temperature           =         381.76632928 K 
     Ekin + Etot (const)   =         -12.05899513 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7017196850

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.5 secs

     total energy              =     -12.07287761 Ry
     estimated scf accuracy    <       0.00001195 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.49E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.5 secs

     total energy              =     -12.07287978 Ry
     estimated scf accuracy    <       0.00000428 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.35E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.5 secs

     total energy              =     -12.07288008 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4215  -4.5647  -4.1709  -1.8874

     highest occupied level (ev):    -1.8874

!    total energy              =     -12.07288013 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03275553    0.02647629   -0.03801228
     atom    2 type  2   force =    -0.00639964   -0.00749276   -0.03704583
     atom    3 type  2   force =    -0.03155642   -0.03307839   -0.00162046
     atom    4 type  2   force =    -0.00158599    0.00956802   -0.02325419
     atom    5 type  2   force =     0.00678653    0.00452685   -0.03160039

     Total force =     0.092092     Total SCF correction =     0.000083

     Entering Dynamics:    iteration =   451
                           time      =   0.0655 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4699233512        9.4694446989        9.0924636180
H            11.3061729878       11.3425185751        8.1888336798
H             8.2536531280        8.2657111060        7.1472191589
H             6.9690236257       10.6344716865        9.1515630495
H            10.6689600735        6.9685520937        9.1530719073


     kinetic energy (Ekin) =           0.01567142 Ry
     temperature           =         412.38681378 K 
     Ekin + Etot (const)   =         -12.05720871 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7499318884

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.6 secs

     total energy              =     -12.07224584 Ry
     estimated scf accuracy    <       0.00001285 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.61E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.6 secs

     total energy              =     -12.07224820 Ry
     estimated scf accuracy    <       0.00000461 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.76E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.6 secs

     total energy              =     -12.07224853 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.36E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4209  -4.5670  -4.1728  -1.8732

     highest occupied level (ev):    -1.8732

!    total energy              =     -12.07224858 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03210218    0.02574895   -0.04352672
     atom    2 type  2   force =    -0.00645149   -0.00751094   -0.03749733
     atom    3 type  2   force =    -0.03088951   -0.03235210   -0.00141357
     atom    4 type  2   force =    -0.00157338    0.00958601   -0.02460989
     atom    5 type  2   force =     0.00681220    0.00452808   -0.02966555

     Total force =     0.093499     Total SCF correction =     0.000085

     Entering Dynamics:    iteration =   452
                           time      =   0.0656 pico-seconds


     Velocity rescaling: T ( 412.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4701856722        9.4697142110        9.0921923033
H            11.3049575791       11.3411000152        8.1821386735
H             8.2455958295        8.2576884207        7.1520026737
H             6.9694127422       10.6358847542        9.1476256039
H            10.6704761149        6.9690107530        9.1477944515


     kinetic energy (Ekin) =           0.01235627 Ry
     temperature           =         325.15019121 K 
     Ekin + Etot (const)   =         -12.05989230 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.6863006303

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.7 secs

     total energy              =     -12.07169799 Ry
     estimated scf accuracy    <       0.00001016 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.7 secs

     total energy              =     -12.07169987 Ry
     estimated scf accuracy    <       0.00000364 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.55E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4207  -4.5693  -4.1746  -1.8612

     highest occupied level (ev):    -1.8612

!    total energy              =     -12.07170013 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03145110    0.02507580   -0.04950243
     atom    2 type  2   force =    -0.00649321   -0.00752397   -0.03787886
     atom    3 type  2   force =    -0.03023106   -0.03164047    0.00050922
     atom    4 type  2   force =    -0.00155010    0.00957876   -0.02681143
     atom    5 type  2   force =     0.00682326    0.00450988   -0.02895178

     Total force =     0.096101     Total SCF correction =     0.000170

     Entering Dynamics:    iteration =   453
                           time      =   0.0657 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4704590508        9.4699925393        9.0919035846
H            11.3036780537       11.3396071604        8.1750696348
H             8.2372400162        8.2493533034        7.1567912166
H             6.9697865524       10.6373924068        9.1434234105
H            10.6720595322        6.9695139449        9.1422311131


     kinetic energy (Ekin) =           0.01343698 Ry
     temperature           =         353.58868046 K 
     Ekin + Etot (const)   =         -12.05826315 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7386784449

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       32.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       32.8 secs

     total energy              =     -12.07113476 Ry
     estimated scf accuracy    <       0.00001140 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.43E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.8 secs

     total energy              =     -12.07113680 Ry
     estimated scf accuracy    <       0.00000406 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.08E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       32.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4199  -4.5715  -4.1756  -1.8482

     highest occupied level (ev):    -1.8482

!    total energy              =     -12.07113711 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.03072989    0.02435687   -0.05593544
     atom    2 type  2   force =    -0.00654989   -0.00754741   -0.03827413
     atom    3 type  2   force =    -0.02951439   -0.03086800    0.00253230
     atom    4 type  2   force =    -0.00150358    0.00956409   -0.02849412
     atom    5 type  2   force =     0.00683796    0.00449446   -0.02765887

     Total force =     0.098990     Total SCF correction =     0.000181

     Entering Dynamics:    iteration =   454
                           time      =   0.0659 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4707432334        9.4702794309        9.0915952002
H            11.3023338518       11.3380397790        8.1676226605
H             8.2285927649        8.2407133819        7.1616047646
H             6.9701455156       10.6389944994        9.1389398536
H            10.6737104706        6.9700615170        9.1363946589


     kinetic energy (Ekin) =           0.01457434 Ry
     temperature           =         383.51778869 K 
     Ekin + Etot (const)   =         -12.05656276 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7931407321

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.0 secs

     total energy              =     -12.07055282 Ry
     estimated scf accuracy    <       0.00001230 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.54E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.0 secs

     total energy              =     -12.07055506 Ry
     estimated scf accuracy    <       0.00000438 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.0 secs

     total energy              =     -12.07055538 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4183  -4.5733  -4.1758  -1.8341

     highest occupied level (ev):    -1.8341

!    total energy              =     -12.07055543 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02993831    0.02359229   -0.06280966
     atom    2 type  2   force =    -0.00661730   -0.00757692   -0.03868268
     atom    3 type  2   force =    -0.02875106   -0.03004800    0.00461295
     atom    4 type  2   force =    -0.00142944    0.00954473   -0.02961304
     atom    5 type  2   force =     0.00685949    0.00448789   -0.02582914

     Total force =     0.102229     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   455
                           time      =   0.0660 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4710379417        9.4705746171        9.0912647333
H            11.3009243078       11.3363975799        8.1597937165
H             8.2196616130        8.2317767533        7.1664638630
H             6.9704903638       10.6406908408        9.1341638846
H            10.6754291425        6.9706534047        9.1303031565


     kinetic energy (Ekin) =           0.01576250 Ry
     temperature           =         414.78377015 K 
     Ekin + Etot (const)   =         -12.05479292 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8494191974

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.1 secs

     total energy              =     -12.06994908 Ry
     estimated scf accuracy    <       0.00001269 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.59E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.1 secs

     total energy              =     -12.06995153 Ry
     estimated scf accuracy    <       0.00000456 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.70E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.1 secs

     total energy              =     -12.06995185 Ry
     estimated scf accuracy    <       0.00000011 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.31E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4172  -4.5756  -4.1763  -1.8202

     highest occupied level (ev):    -1.8202

!    total energy              =     -12.06995190 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02907566    0.02279667   -0.07022348
     atom    2 type  2   force =    -0.00668566   -0.00760841   -0.03908465
     atom    3 type  2   force =    -0.02790970   -0.02915176    0.00667107
     atom    4 type  2   force =    -0.00134681    0.00950252   -0.03007753
     atom    5 type  2   force =     0.00686651    0.00446099   -0.02344970

     Total force =     0.105894     Total SCF correction =     0.000080

     Entering Dynamics:    iteration =   456
                           time      =   0.0662 pico-seconds


     Velocity rescaling: T ( 414.8K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4712987992        9.4708336735        9.0909589980
H            11.2996595413       11.3349258398        8.1527496373
H             8.2117905053        8.2238887234        7.1706621654
H             6.9707703417       10.6422273295        9.1298051540
H            10.6769585933        6.9712008264        9.1248910742


     kinetic energy (Ekin) =           0.01237080 Ry
     temperature           =         325.53254006 K 
     Ekin + Etot (const)   =         -12.05758110 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.7759601236

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.2 secs

     total energy              =     -12.06941361 Ry
     estimated scf accuracy    <       0.00000996 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.24E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.2 secs

     total energy              =     -12.06941553 Ry
     estimated scf accuracy    <       0.00000358 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4166  -4.5780  -4.1769  -1.8084

     highest occupied level (ev):    -1.8084

!    total energy              =     -12.06941580 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02828287    0.02209852   -0.07801710
     atom    2 type  2   force =    -0.00674495   -0.00763699   -0.03941986
     atom    3 type  2   force =    -0.02712993   -0.02832774    0.00997775
     atom    4 type  2   force =    -0.00126968    0.00944793   -0.03143829
     atom    5 type  2   force =     0.00686169    0.00441828   -0.02249976

     Total force =     0.111008     Total SCF correction =     0.000163

     Entering Dynamics:    iteration =   457
                           time      =   0.0663 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4715696004        9.4711004994        9.0906258335
H            11.2983281722       11.3333786887        8.1453163091
H             8.2036515049        8.2157209730        7.1749589925
H             6.9710377821       10.6438571113        9.1251359879
H            10.6785557993        6.9717918761        9.1192568192


     kinetic energy (Ekin) =           0.01346684 Ry
     temperature           =         354.37432997 K 
     Ekin + Etot (const)   =         -12.05594896 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8355029178

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.3 secs

     total energy              =     -12.06884983 Ry
     estimated scf accuracy    <       0.00001117 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.40E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.3 secs

     total energy              =     -12.06885192 Ry
     estimated scf accuracy    <       0.00000399 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.99E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4154  -4.5802  -4.1769  -1.7957

     highest occupied level (ev):    -1.7957

!    total energy              =     -12.06885223 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02744556    0.02138184   -0.08618190
     atom    2 type  2   force =    -0.00681703   -0.00767498   -0.03976947
     atom    3 type  2   force =    -0.02631704   -0.02747361    0.01313542
     atom    4 type  2   force =    -0.00116894    0.00938592   -0.03215625
     atom    5 type  2   force =     0.00685745    0.00438084   -0.02112444

     Total force =     0.116536     Total SCF correction =     0.000176

     Entering Dynamics:    iteration =   458
                           time      =   0.0665 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4718500509        9.4713748426        9.0902623693
H            11.2969294888       11.3317557515        8.1374902798
H             8.1952526385        8.2072819360        7.1793855245
H             6.9712936799       10.6455795737        9.1201492969
H            10.6802207189        6.9724261841        9.1134139723


     kinetic energy (Ekin) =           0.01461777 Ry
     temperature           =         384.66047119 K 
     Ekin + Etot (const)   =         -12.05423446 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8969080243

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.4 secs

     total energy              =     -12.06825490 Ry
     estimated scf accuracy    <       0.00001201 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.50E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.4 secs

     total energy              =     -12.06825718 Ry
     estimated scf accuracy    <       0.00000430 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.4 secs

     total energy              =     -12.06825750 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.27E-09,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4135  -4.5820  -4.1761  -1.7820

     highest occupied level (ev):    -1.7820

!    total energy              =     -12.06825755 Ry
     estimated scf accuracy    <       0.00000003 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02656589    0.02065129   -0.09468884
     atom    2 type  2   force =    -0.00689723   -0.00771841   -0.04013405
     atom    3 type  2   force =    -0.02548576   -0.02660517    0.01606757
     atom    4 type  2   force =    -0.00104052    0.00931937   -0.03221574
     atom    5 type  2   force =     0.00685762    0.00435292   -0.01936697

     Total force =     0.122468     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   459
                           time      =   0.0666 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4721398414        9.4716564464        9.0898656146
H            11.2954626991       11.3300565993        8.1292679493
H             8.1866021145        8.1985801879        7.1839707147
H             6.9715393032       10.6473940596        9.1148444935
H            10.6819533535        6.9731034748        9.1073798876


     kinetic energy (Ekin) =           0.01581790 Ry
     temperature           =         416.24160607 K 
     Ekin + Etot (const)   =         -12.05243964 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9599895241

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.6 secs

     total energy              =     -12.06762657 Ry
     estimated scf accuracy    <       0.00001234 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.54E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.6 secs

     total energy              =     -12.06762905 Ry
     estimated scf accuracy    <       0.00000446 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.58E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.6 secs

     total energy              =     -12.06762937 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.26E-09,  avg # of iterations =  5.0

     total cpu time spent up to now is       33.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4122  -4.5843  -4.1757  -1.7686

     highest occupied level (ev):    -1.7686

!    total energy              =     -12.06762942 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02567060    0.01993856   -0.10363236
     atom    2 type  2   force =    -0.00697755   -0.00776239   -0.04049572
     atom    3 type  2   force =    -0.02462143   -0.02570809    0.01867155
     atom    4 type  2   force =    -0.00090867    0.00922700   -0.03155423
     atom    5 type  2   force =     0.00683704    0.00430491   -0.01721047

     Total force =     0.128856     Total SCF correction =     0.000076

     Entering Dynamics:    iteration =   460
                           time      =   0.0668 pico-seconds


     Velocity rescaling: T ( 416.2K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4723948876        9.4719025270        9.0894923502
H            11.2941485522       11.3285374357        8.1218876365
H             8.1790150318        8.1909388878        7.1880477348
H             6.9717388551       10.6490255994        9.1100293404
H            10.6834918052        6.9737209769        9.1020872395


     kinetic energy (Ekin) =           0.01237687 Ry
     temperature           =         325.69210354 K 
     Ekin + Etot (const)   =         -12.05525255 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.8747748670

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.7 secs

     total energy              =     -12.06706089 Ry
     estimated scf accuracy    <       0.00000955 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.19E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.7 secs

     total energy              =     -12.06706283 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4115  -4.5867  -4.1757  -1.7573

     highest occupied level (ev):    -1.7573

!    total energy              =     -12.06706308 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02485914    0.01931832   -0.11294234
     atom    2 type  2   force =    -0.00705711   -0.00781370   -0.04077984
     atom    3 type  2   force =    -0.02383039   -0.02489629    0.02216831
     atom    4 type  2   force =    -0.00079721    0.00914889   -0.03193163
     atom    5 type  2   force =     0.00682557    0.00424279   -0.01655281

     Total force =     0.136538     Total SCF correction =     0.000151

     Entering Dynamics:    iteration =   461
                           time      =   0.0669 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4726586736        9.4721553996        9.0890793778
H            11.2927647201       11.3269411161        8.1141046457
H             8.1711926375        8.1830517508        7.1923436544
H             6.9719305351       10.6507474794        9.1048988806
H            10.6850976556        6.9743803743        9.0966311416


     kinetic energy (Ekin) =           0.01348029 Ry
     temperature           =         354.72822934 K 
     Ekin + Etot (const)   =         -12.05358279 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9411985340

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.8 secs

     total energy              =     -12.06645809 Ry
     estimated scf accuracy    <       0.00001076 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.35E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.8 secs

     total energy              =     -12.06646020 Ry
     estimated scf accuracy    <       0.00000388 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.85E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4104  -4.5889  -4.1752  -1.7453

     highest occupied level (ev):    -1.7453

!    total energy              =     -12.06646049 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02404757    0.01872324   -0.12249447
     atom    2 type  2   force =    -0.00714492   -0.00787036   -0.04108940
     atom    3 type  2   force =    -0.02304668   -0.02409688    0.02518686
     atom    4 type  2   force =    -0.00066091    0.00905632   -0.03165740
     atom    5 type  2   force =     0.00680494    0.00418768   -0.01560689

     Total force =     0.144476     Total SCF correction =     0.000168

     Entering Dynamics:    iteration =   462
                           time      =   0.0671 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4729309143        9.4724148549        9.0886233388
H            11.2913103361       11.3252670811        8.1059159202
H             8.1631426701        8.1749266706        7.1968882801
H             6.9721156890       10.6525587854        9.0994558217
H            10.6867707009        6.9750811226        9.0910209345


     kinetic energy (Ekin) =           0.01463964 Ry
     temperature           =         385.23593072 K 
     Ekin + Etot (const)   =         -12.05182085 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.0097672114

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       33.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       33.9 secs

     total energy              =     -12.06581705 Ry
     estimated scf accuracy    <       0.00001155 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.44E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.9 secs

     total energy              =     -12.06581935 Ry
     estimated scf accuracy    <       0.00000417 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.22E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       33.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4092  -4.5912  -4.1746  -1.7329

     highest occupied level (ev):    -1.7329

!    total energy              =     -12.06581966 Ry
     estimated scf accuracy    <       0.00000010 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02322569    0.01814818   -0.13236589
     atom    2 type  2   force =    -0.00723865   -0.00793297   -0.04139898
     atom    3 type  2   force =    -0.02225695   -0.02329743    0.02764389
     atom    4 type  2   force =    -0.00051276    0.00895605   -0.03070103
     atom    5 type  2   force =     0.00678267    0.00412617   -0.01435906

     Total force =     0.152687     Total SCF correction =     0.000173

     Entering Dynamics:    iteration =   463
                           time      =   0.0672 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4732113207        9.4726806907        9.0881207629
H            11.2897844745       11.3235147125        8.0973184030
H             8.1548729278        8.1665715414        7.2017058737
H             6.9722957797       10.6544585274        9.0937096074
H            10.6885107213        6.9758226145        9.0852689397


     kinetic energy (Ekin) =           0.01584967 Ry
     temperature           =         417.07740511 K 
     Ekin + Etot (const)   =         -12.04996999 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.0804251575

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.0 secs

     total energy              =     -12.06513742 Ry
     estimated scf accuracy    <       0.00001234 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.54E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.0 secs

     total energy              =     -12.06513991 Ry
     estimated scf accuracy    <       0.00000448 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.60E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.0 secs

     total energy              =     -12.06514023 Ry
     estimated scf accuracy    <       0.00000010 Ry

     iteration #  4     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-09,  avg # of iterations =  5.0

     total cpu time spent up to now is       34.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4073  -4.5930  -4.1733  -1.7195

     highest occupied level (ev):    -1.7195

!    total energy              =     -12.06514028 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   4 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02241594    0.01761458   -0.14241530
     atom    2 type  2   force =    -0.00733397   -0.00799632   -0.04173390
     atom    3 type  2   force =    -0.02149771   -0.02253333    0.02947226
     atom    4 type  2   force =    -0.00033818    0.00884307   -0.02913848
     atom    5 type  2   force =     0.00675392    0.00407200   -0.01288430

     Total force =     0.161085     Total SCF correction =     0.000075

     Entering Dynamics:    iteration =   464
                           time      =   0.0673 pico-seconds


     Velocity rescaling: T ( 417.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4734570172        9.4729123416        9.0876444529
H            11.2884179568       11.3219495516        8.0896146619
H             8.1476469971        8.1592629670        7.2060827460
H             6.9724451770       10.6561570383        9.0885484582
H            10.6900531414        6.9764916901        9.0802633889


     kinetic energy (Ekin) =           0.01238522 Ry
     temperature           =         325.91191809 K 
     Ekin + Etot (const)   =         -12.05275506 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -0.9836025559

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.1 secs

     total energy              =     -12.06452519 Ry
     estimated scf accuracy    <       0.00000911 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.14E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.1 secs

     total energy              =     -12.06452713 Ry
     estimated scf accuracy    <       0.00000331 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.14E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4070  -4.5955  -4.1732  -1.7090

     highest occupied level (ev):    -1.7090

!    total energy              =     -12.06452736 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02170480    0.01716570   -0.15292520
     atom    2 type  2   force =    -0.00742904   -0.00806637   -0.04197867
     atom    3 type  2   force =    -0.02080575   -0.02184536    0.03205227
     atom    4 type  2   force =    -0.00020596    0.00874994   -0.02876843
     atom    5 type  2   force =     0.00673594    0.00399610   -0.01283700

     Total force =     0.170594     Total SCF correction =     0.000142

     Entering Dynamics:    iteration =   465
                           time      =   0.0675 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4737103446        9.4731500277        9.0871143777
H            11.2869780817       11.3203047398        8.0814964051
H             8.1402156213        8.1517386819        7.2107761165
H             6.9725925407       10.6579419500        9.0831032370
H            10.6916620753        6.9772002249        9.0751310799


     kinetic energy (Ekin) =           0.01350183 Ry
     temperature           =         355.29512593 K 
     Ekin + Etot (const)   =         -12.05102553 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.0588194448

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.3 secs

     total energy              =     -12.06387393 Ry
     estimated scf accuracy    <       0.00001025 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.28E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.3 secs

     total energy              =     -12.06387604 Ry
     estimated scf accuracy    <       0.00000375 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.68E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4061  -4.5977  -4.1726  -1.6978

     highest occupied level (ev):    -1.6978

!    total energy              =     -12.06387631 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02101971    0.01676874   -0.16356372
     atom    2 type  2   force =    -0.00753066   -0.00814195   -0.04225124
     atom    3 type  2   force =    -0.02014517   -0.02119337    0.03387277
     atom    4 type  2   force =    -0.00005110    0.00864195   -0.02782887
     atom    5 type  2   force =     0.00670723    0.00392463   -0.01257975

     Total force =     0.180151     Total SCF correction =     0.000157

     Entering Dynamics:    iteration =   466
                           time      =   0.0676 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4739710621        9.4733936093        9.0865267970
H            11.2854638454       11.3185795307        8.0729609410
H             8.1325853233        8.1440051243        7.2158039616
H             6.9727393997       10.6598121960        9.0773832213
H            10.6933372392        6.9779475133        9.0698745529


     kinetic energy (Ekin) =           0.01467856 Ry
     temperature           =         386.26027441 K 
     Ekin + Etot (const)   =         -12.04919775 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1369709140

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.4 secs

     total energy              =     -12.06318438 Ry
     estimated scf accuracy    <       0.00001099 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.37E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.4 secs

     total energy              =     -12.06318666 Ry
     estimated scf accuracy    <       0.00000403 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.04E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4052  -4.6000  -4.1720  -1.6863

     highest occupied level (ev):    -1.6863

!    total energy              =     -12.06318695 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.02034457    0.01640845   -0.17442550
     atom    2 type  2   force =    -0.00763840   -0.00822405   -0.04252260
     atom    3 type  2   force =    -0.01949846   -0.02056035    0.03489121
     atom    4 type  2   force =     0.00011302    0.00852926   -0.02630316
     atom    5 type  2   force =     0.00667928    0.00384669   -0.01207836

     Total force =     0.189820     Total SCF correction =     0.000161

     Entering Dynamics:    iteration =   467
                           time      =   0.0678 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4742389323        9.4736429597        9.0858778920
H            11.2838741842       11.3167731138        8.0640055900
H             8.1247624889        8.1360685447        7.2211763378
H             6.9728873747       10.6617666637        9.0714034767
H            10.6950783573        6.9787327855        9.0644987590


     kinetic energy (Ekin) =           0.01591015 Ry
     temperature           =         418.66900057 K 
     Ekin + Etot (const)   =         -12.04727680 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2181188946

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.5 secs

     total energy              =     -12.06245793 Ry
     estimated scf accuracy    <       0.00001174 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.47E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.5 secs

     total energy              =     -12.06246039 Ry
     estimated scf accuracy    <       0.00000432 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.40E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4045  -4.6024  -4.1714  -1.6745

     highest occupied level (ev):    -1.6745

!    total energy              =     -12.06246070 Ry
     estimated scf accuracy    <       0.00000009 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01968564    0.01608910   -0.18547050
     atom    2 type  2   force =    -0.00775361   -0.00831399   -0.04279495
     atom    3 type  2   force =    -0.01886703   -0.01994730    0.03507622
     atom    4 type  2   force =     0.00028560    0.00841002   -0.02423790
     atom    5 type  2   force =     0.00664941    0.00376216   -0.01134629

     Total force =     0.199589     Total SCF correction =     0.000164

     Entering Dynamics:    iteration =   468
                           time      =   0.0679 pico-seconds


     Velocity rescaling: T ( 418.7K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4744726045        9.4738596906        9.0852633886
H            11.2824519788       11.3151618921        8.0560023397
H             8.1179541849        8.1291532886        7.2260703941
H             6.9730154552       10.6635041582        9.0661023075
H            10.6966178670        6.9794346650        9.0598361294


     kinetic energy (Ekin) =           0.01240200 Ry
     temperature           =         326.35346685 K 
     Ekin + Etot (const)   =         -12.05005870 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1090161036

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.6 secs

     total energy              =     -12.06181007 Ry
     estimated scf accuracy    <       0.00000915 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.14E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.6 secs

     total energy              =     -12.06181197 Ry
     estimated scf accuracy    <       0.00000337 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4038  -4.6044  -4.1708  -1.6643

     highest occupied level (ev):    -1.6643

!    total energy              =     -12.06181221 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01914727    0.01586148   -0.19680120
     atom    2 type  2   force =    -0.00785663   -0.00839611   -0.04303098
     atom    3 type  2   force =    -0.01835626   -0.01945612    0.03614838
     atom    4 type  2   force =     0.00044089    0.00830520   -0.02363170
     atom    5 type  2   force =     0.00662473    0.00368555   -0.01204364

     Total force =     0.210203     Total SCF correction =     0.000144

     Entering Dynamics:    iteration =   469
                           time      =   0.0681 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4747130086        9.4740819981        9.0845796942
H            11.2809521936       11.3134677634        8.0475741826
H             8.1109646230        8.1220459142        7.2313213953
H             6.9731478892       10.6653236619        9.0605677885
H            10.6982227922        6.9801729372        9.0550545756


     kinetic energy (Ekin) =           0.01354176 Ry
     temperature           =         356.34578497 K 
     Ekin + Etot (const)   =         -12.04827045 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.1967909575

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.8 secs

     total energy              =     -12.06112732 Ry
     estimated scf accuracy    <       0.00000974 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.22E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.8 secs

     total energy              =     -12.06112937 Ry
     estimated scf accuracy    <       0.00000361 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.51E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4033  -4.6066  -4.1704  -1.6540

     highest occupied level (ev):    -1.6540

!    total energy              =     -12.06112963 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01862760    0.01567396   -0.20829304
     atom    2 type  2   force =    -0.00796798   -0.00848672   -0.04326428
     atom    3 type  2   force =    -0.01786071   -0.01898365    0.03635342
     atom    4 type  2   force =     0.00060149    0.00819537   -0.02252914
     atom    5 type  2   force =     0.00659961    0.00360105   -0.01250244

     Total force =     0.220850     Total SCF correction =     0.000145

     Entering Dynamics:    iteration =   470
                           time      =   0.0682 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4749599617        9.4743098161        9.0838227683
H            11.2793737290       11.3116898331        8.0387188151
H             8.1037986966        8.1147510870        7.2369313661
H             6.9732862626       10.6672240903        9.0548108069
H            10.6998928848        6.9809467678        9.0501495672


     kinetic energy (Ekin) =           0.01474659 Ry
     temperature           =         388.05052342 K 
     Ekin + Etot (const)   =         -12.04638303 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2885899484

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       34.9 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       34.9 secs

     total energy              =     -12.06041149 Ry
     estimated scf accuracy    <       0.00001043 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.30E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.9 secs

     total energy              =     -12.06041370 Ry
     estimated scf accuracy    <       0.00000387 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.84E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       34.9 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4028  -4.6089  -4.1701  -1.6435

     highest occupied level (ev):    -1.6435

!    total energy              =     -12.06041398 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01813044    0.01552900   -0.21990315
     atom    2 type  2   force =    -0.00808677   -0.00858499   -0.04349769
     atom    3 type  2   force =    -0.01738619   -0.01853495    0.03569385
     atom    4 type  2   force =     0.00076829    0.00808089   -0.02096740
     atom    5 type  2   force =     0.00657423    0.00351006   -0.01271819

     Total force =     0.231519     Total SCF correction =     0.000147

     Entering Dynamics:    iteration =   471
                           time      =   0.0684 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4752132891        9.4745430939        9.0829885292
H            11.2777154120       11.3098271309        8.0294339322
H             8.0964610914        8.1072732375        7.2428937936
H             6.9734322224       10.6692043129        9.0488467840
H            10.7016278942        6.9817552582        9.0451189739


     kinetic energy (Ekin) =           0.01601041 Ry
     temperature           =         421.30727222 K 
     Ekin + Etot (const)   =         -12.04440357 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3845202105

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.0 secs

     total energy              =     -12.05966499 Ry
     estimated scf accuracy    <       0.00001115 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.39E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.0 secs

     total energy              =     -12.05966738 Ry
     estimated scf accuracy    <       0.00000415 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  5.19E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4025  -4.6112  -4.1697  -1.6328

     highest occupied level (ev):    -1.6328

!    total energy              =     -12.05966767 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01765504    0.01542410   -0.23160419
     atom    2 type  2   force =    -0.00821297   -0.00869087   -0.04373024
     atom    3 type  2   force =    -0.01693193   -0.01810841    0.03419997
     atom    4 type  2   force =     0.00094096    0.00796201   -0.01898923
     atom    5 type  2   force =     0.00654890    0.00341317   -0.01268627

     Total force =     0.242219     Total SCF correction =     0.000150

     Entering Dynamics:    iteration =   472
                           time      =   0.0685 pico-seconds


     Velocity rescaling: T ( 421.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4754332645        9.4747453662        9.0822031361
H            11.2762349560       11.3081694871        8.0211671463
H             8.0901021185        8.1007843035        7.2482628460
H             6.9735646809       10.6709539283        9.0436265829
H            10.7031566349        6.9824711995        9.0407486781


     kinetic energy (Ekin) =           0.01242573 Ry
     temperature           =         326.97782364 K 
     Ekin + Etot (const)   =         -12.04724194 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.2608258378

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.1 secs

     total energy              =     -12.05900882 Ry
     estimated scf accuracy    <       0.00000864 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.1 secs

     total energy              =     -12.05901065 Ry
     estimated scf accuracy    <       0.00000322 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.02E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4021  -4.6133  -4.1694  -1.6236

     highest occupied level (ev):    -1.6236

!    total energy              =     -12.05901088 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01727786    0.01537619   -0.24366561
     atom    2 type  2   force =    -0.00832451   -0.00878565   -0.04393057
     atom    3 type  2   force =    -0.01657534   -0.01777632    0.03389826
     atom    4 type  2   force =     0.00109292    0.00785913   -0.01856990
     atom    5 type  2   force =     0.00652907    0.00332665   -0.01398524

     Total force =     0.253734     Total SCF correction =     0.000131

     Entering Dynamics:    iteration =   473
                           time      =   0.0686 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4756593144        9.4749530445        9.0813320754
H            11.2746723002       11.3064250899        8.0124665707
H             8.0835794733        8.0941198383        7.2539666247
H             6.9737079314       10.6727811482        9.0382230144
H            10.7047498463        6.9832199896        9.0362402859


     kinetic energy (Ekin) =           0.01359710 Ry
     temperature           =         357.80201564 K 
     Ekin + Etot (const)   =         -12.04541378 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.3656501527

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.2 secs

     total energy              =     -12.05832485 Ry
     estimated scf accuracy    <       0.00000921 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.15E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.2 secs

     total energy              =     -12.05832684 Ry
     estimated scf accuracy    <       0.00000344 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4020  -4.6154  -4.1692  -1.6143

     highest occupied level (ev):    -1.6143

!    total energy              =     -12.05832708 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01692017    0.01536175   -0.25579818
     atom    2 type  2   force =    -0.00844366   -0.00888778   -0.04412589
     atom    3 type  2   force =    -0.01623481   -0.01746076    0.03280640
     atom    4 type  2   force =     0.00124792    0.00775296   -0.01776690
     atom    5 type  2   force =     0.00651038    0.00323383   -0.01500796

     Total force =     0.265240     Total SCF correction =     0.000131

     Entering Dynamics:    iteration =   474
                           time      =   0.0688 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4758913132        9.4751661237        9.0803710815
H            11.2730262680       11.3045929309        8.0033302767
H             8.0768965186        8.0872829579        7.2599943482
H             6.9738635044       10.6746849242        9.0326440078
H            10.7064073441        6.9840007120        9.0315836985


     kinetic energy (Ekin) =           0.01483891 Ry
     temperature           =         390.47973113 K 
     Ekin + Etot (const)   =         -12.04348817 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4755524475

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.4 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.4 secs

     total energy              =     -12.05761518 Ry
     estimated scf accuracy    <       0.00000988 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.23E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.4 secs

     total energy              =     -12.05761733 Ry
     estimated scf accuracy    <       0.00000370 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.4 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4019  -4.6177  -4.1691  -1.6048

     highest occupied level (ev):    -1.6048

!    total energy              =     -12.05761759 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01658453    0.01538194   -0.26795529
     atom    2 type  2   force =    -0.00856949   -0.00899645   -0.04431924
     atom    3 type  2   force =    -0.01591404   -0.01716469    0.03096706
     atom    4 type  2   force =     0.00140660    0.00764343   -0.01660867
     atom    5 type  2   force =     0.00649240    0.00313576   -0.01573645

     Total force =     0.276718     Total SCF correction =     0.000133

     Entering Dynamics:    iteration =   475
                           time      =   0.0689 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4761291426        9.4753846108        9.0793158802
H            11.2712956170       11.3026719370        7.9937563551
H             8.0700564215        8.0802765859        7.2663278541
H             6.9740329668       10.6766641748        9.0269010000
H            10.7081289507        6.9848123982        9.0267717226


     kinetic energy (Ekin) =           0.01614585 Ry
     temperature           =         424.87137785 K 
     Ekin + Etot (const)   =         -12.04147174 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.5905921555

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.5 secs

     total energy              =     -12.05688231 Ry
     estimated scf accuracy    <       0.00001057 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.32E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.5 secs

     total energy              =     -12.05688463 Ry
     estimated scf accuracy    <       0.00000396 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4019  -4.6200  -4.1690  -1.5952

     highest occupied level (ev):    -1.5952

!    total energy              =     -12.05688491 Ry
     estimated scf accuracy    <       0.00000008 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01626841    0.01543221   -0.28010737
     atom    2 type  2   force =    -0.00870185   -0.00911146   -0.04450971
     atom    3 type  2   force =    -0.01561038   -0.01688463    0.02844535
     atom    4 type  2   force =     0.00156859    0.00753070   -0.01512535
     atom    5 type  2   force =     0.00647523    0.00303318   -0.01615345

     Total force =     0.288168     Total SCF correction =     0.000135

     Entering Dynamics:    iteration =   476
                           time      =   0.0691 pico-seconds


     Velocity rescaling: T ( 424.9K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4763347093        9.4755736301        9.0783307198
H            11.2697554333       11.3009677645        7.9852719262
H             8.0641545770        8.0742224388        7.2719307506
H             6.9741908542       10.6784016910        9.0219258236
H            10.7096395478        6.9855244052        9.0225687359


     kinetic energy (Ekin) =           0.01245887 Ry
     temperature           =         327.84998215 K 
     Ekin + Etot (const)   =         -12.04442604 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.4473815935

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.6 secs

     total energy              =     -12.05624746 Ry
     estimated scf accuracy    <       0.00000813 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.6 secs

     total energy              =     -12.05624924 Ry
     estimated scf accuracy    <       0.00000304 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.81E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4018  -4.6219  -4.1688  -1.5870

     highest occupied level (ev):    -1.5870

!    total energy              =     -12.05624945 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01602389    0.01550442   -0.29271861
     atom    2 type  2   force =    -0.00881721   -0.00921224   -0.04467248
     atom    3 type  2   force =    -0.01537717   -0.01666952    0.02743947
     atom    4 type  2   force =     0.00170827    0.00743393   -0.01521700
     atom    5 type  2   force =     0.00646222    0.00294342   -0.01782011

     Total force =     0.300441     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =   477
                           time      =   0.0692 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4765459095        9.4757681004        9.0772426458
H            11.2681281846       11.2991726263        7.9763463817
H             8.0581008916        8.0680036896        7.2778045965
H             6.9743656098       10.6802126130        9.0168003880
H            10.7112139556        6.9862654768        9.0181897857


     kinetic energy (Ekin) =           0.01367664 Ry
     temperature           =         359.89505572 K 
     Ekin + Etot (const)   =         -12.04257282 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.5730889551

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.7 secs

     total energy              =     -12.05559174 Ry
     estimated scf accuracy    <       0.00000867 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.7 secs

     total energy              =     -12.05559368 Ry
     estimated scf accuracy    <       0.00000326 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4019  -4.6240  -4.1688  -1.5787

     highest occupied level (ev):    -1.5787

!    total energy              =     -12.05559390 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01579359    0.01559667   -0.30530381
     atom    2 type  2   force =    -0.00893885   -0.00931850   -0.04482802
     atom    3 type  2   force =    -0.01515449   -0.01646259    0.02582637
     atom    4 type  2   force =     0.00184872    0.00733508   -0.01499674
     atom    5 type  2   force =     0.00645103    0.00284933   -0.01913053

     Total force =     0.312642     Total SCF correction =     0.000118

     Entering Dynamics:    iteration =   478
                           time      =   0.0694 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4767626625        9.4759680542        9.0760472335
H            11.2664126697       11.2972854731        7.9669781857
H             8.0518975641        8.0616223815        7.2839334633
H             6.9745586205       10.6820959649        9.0115268680
H            10.7128520637        6.9870346839        9.0136219322


     kinetic energy (Ekin) =           0.01497535 Ry
     temperature           =         394.07004484 K 
     Ekin + Etot (const)   =         -12.04061855 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.7046054784

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       35.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       35.8 secs

     total energy              =     -12.05491678 Ry
     estimated scf accuracy    <       0.00000930 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.16E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.8 secs

     total energy              =     -12.05491888 Ry
     estimated scf accuracy    <       0.00000350 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       35.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4020  -4.6262  -4.1687  -1.5703

     highest occupied level (ev):    -1.5703

!    total energy              =     -12.05491912 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01557998    0.01571032   -0.31781087
     atom    2 type  2   force =    -0.00906592   -0.00942959   -0.04497978
     atom    3 type  2   force =    -0.01494506   -0.01626607    0.02365953
     atom    4 type  2   force =     0.00199040    0.00723365   -0.01447835
     atom    5 type  2   force =     0.00644059    0.00275170   -0.02005836

     Total force =     0.324735     Total SCF correction =     0.000120

     Entering Dynamics:    iteration =   479
                           time      =   0.0695 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4769848930        9.4761735314        9.0747400857
H            11.2646076341       11.2953052079        7.9571658396
H             8.0455466625        8.0550804552        7.2902959546
H             6.9747712852       10.6840507449        9.0061103825
H            10.7145537690        6.9878310626        9.0088560136


     kinetic energy (Ekin) =           0.01635182 Ry
     temperature           =         430.29126375 K 
     Ekin + Etot (const)   =         -12.03856730 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8418743330

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       36.0 secs

     total energy              =     -12.05422449 Ry
     estimated scf accuracy    <       0.00000996 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.24E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.0 secs

     total energy              =     -12.05422676 Ry
     estimated scf accuracy    <       0.00000375 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.68E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4022  -4.6285  -4.1686  -1.5618

     highest occupied level (ev):    -1.5618

!    total energy              =     -12.05422701 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01538024    0.01584052   -0.33020552
     atom    2 type  2   force =    -0.00919819   -0.00954522   -0.04512710
     atom    3 type  2   force =    -0.01474568   -0.01607622    0.02100692
     atom    4 type  2   force =     0.00213289    0.00712966   -0.01367543
     atom    5 type  2   force =     0.00643074    0.00265126   -0.02058027

     Total force =     0.336700     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =   480
                           time      =   0.0697 pico-seconds


     Velocity rescaling: T ( 430.3K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4771758599        9.4763506713        9.0735325420
H            11.2630096270       11.2935574600        7.9485270600
H             8.0400981412        8.0494592925        7.2958159794
H             6.9749699185       10.6857533610        9.0014526539
H            10.7160381696        6.9885222075        9.0046733182


     kinetic energy (Ekin) =           0.01251458 Ry
     temperature           =         329.31605529 K 
     Ekin + Etot (const)   =         -12.04171243 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.6693003066

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.47E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.1 secs

     total energy              =     -12.05363311 Ry
     estimated scf accuracy    <       0.00000861 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.1 secs

     total energy              =     -12.05363432 Ry
     estimated scf accuracy    <       0.00000280 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.50E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4022  -4.6304  -4.1685  -1.5545

     highest occupied level (ev):    -1.5545

!    total energy              =     -12.05363448 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01520713    0.01593224   -0.34315645
     atom    2 type  2   force =    -0.00930705   -0.00963697   -0.04523910
     atom    3 type  2   force =    -0.01458889   -0.01592334    0.02007839
     atom    4 type  2   force =     0.00226119    0.00704853   -0.01442996
     atom    5 type  2   force =     0.00642762    0.00257953   -0.02233666

     Total force =     0.349495     Total SCF correction =     0.000108

     Entering Dynamics:    iteration =   481
                           time      =   0.0698 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4773721732        9.4765334125        9.0722043517
H            11.2613197181       11.2917145524        7.9394415697
H             8.0345055629        8.0436808957        7.3015342670
H             6.9751908797       10.6875255773        8.9966524376
H            10.7175860393        6.9892388239        9.0002700607


     kinetic energy (Ekin) =           0.01381152 Ry
     temperature           =         363.44450166 K 
     Ekin + Etot (const)   =         -12.03982296 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8181125281

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  1.00E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.2 secs

     total energy              =     -12.05302467 Ry
     estimated scf accuracy    <       0.00000910 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.14E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.2 secs

     total energy              =     -12.05302598 Ry
     estimated scf accuracy    <       0.00000297 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.72E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4024  -4.6324  -4.1684  -1.5471

     highest occupied level (ev):    -1.5471

!    total energy              =     -12.05302615 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01506761    0.01606821   -0.35598808
     atom    2 type  2   force =    -0.00942392   -0.00973847   -0.04535778
     atom    3 type  2   force =    -0.01444428   -0.01577889    0.01873705
     atom    4 type  2   force =     0.00237923    0.00695851   -0.01487847
     atom    5 type  2   force =     0.00642135    0.00249063   -0.02362499

     Total force =     0.362137     Total SCF correction =     0.000107

     Entering Dynamics:    iteration =   482
                           time      =   0.0700 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4775737840        9.4767218031        9.0707510037
H            11.2595367532       11.2897754828        7.9299081968
H             8.0287703555        8.0377466913        7.3074375724
H             6.9754353344       10.6893665050        8.9917053048
H            10.7191973164        6.9899800340        8.9956335198


     kinetic energy (Ekin) =           0.01520736 Ry
     temperature           =         400.17533865 K 
     Ekin + Etot (const)   =         -12.03781880 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.9730242886

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       36.3 secs

     total energy              =     -12.05239977 Ry
     estimated scf accuracy    <       0.00000858 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.07E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.3 secs

     total energy              =     -12.05240178 Ry
     estimated scf accuracy    <       0.00000324 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  4.05E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4026  -4.6345  -4.1682  -1.5397

     highest occupied level (ev):    -1.5397

!    total energy              =     -12.05240200 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01495717    0.01624172   -0.36865696
     atom    2 type  2   force =    -0.00955048   -0.00985084   -0.04548132
     atom    3 type  2   force =    -0.01430463   -0.01563539    0.01702207
     atom    4 type  2   force =     0.00248780    0.00685836   -0.01501364
     atom    5 type  2   force =     0.00641014    0.00238614   -0.02441298

     Total force =     0.374583     Total SCF correction =     0.000111

     Entering Dynamics:    iteration =   483
                           time      =   0.0701 pico-seconds


     Velocity rescaling: T ( 400.2K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4777536044        9.4768906285        9.0693630312
H            11.2578986930       11.2879992958        7.9212047602
H             8.0236633581        8.0324542549        7.3127169482
H             6.9756715578       10.6910281684        8.9872736495
H            10.7206557140        6.9906453619        8.9913779728


     kinetic energy (Ekin) =           0.01261028 Ry
     temperature           =         331.83423296 K 
     Ekin + Etot (const)   =         -12.03979172 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -1.8585316918

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.90E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.5 secs

     total energy              =     -12.05184532 Ry
     estimated scf accuracy    <       0.00000809 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.5 secs

     total energy              =     -12.05184648 Ry
     estimated scf accuracy    <       0.00000264 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.30E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4027  -4.6363  -4.1681  -1.5331

     highest occupied level (ev):    -1.5331

!    total energy              =     -12.05184663 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01483428    0.01634018   -0.38175422
     atom    2 type  2   force =    -0.00965398   -0.00993651   -0.04556384
     atom    3 type  2   force =    -0.01418598   -0.01550803    0.01654884
     atom    4 type  2   force =     0.00259650    0.00678414   -0.01623259
     atom    5 type  2   force =     0.00640918    0.00232021   -0.02603897

     Total force =     0.387618     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   484
                           time      =   0.0702 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4779386403        9.4770651989        9.0678408420
H            11.2561653052       11.2861249913        7.9120514062
H             8.0184162822        8.0270086854        7.3181597344
H             6.9759334201       10.6927568214        8.9826817066
H            10.7221773986        6.9913336005        8.9868653056


     kinetic energy (Ekin) =           0.01400977 Ry
     temperature           =         368.66118224 K 
     Ekin + Etot (const)   =         -12.03783687 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.0253286174

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.45E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.6 secs

     total energy              =     -12.05127302 Ry
     estimated scf accuracy    <       0.00000861 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.08E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.6 secs

     total energy              =     -12.05127429 Ry
     estimated scf accuracy    <       0.00000282 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.52E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4030  -4.6383  -4.1679  -1.5264

     highest occupied level (ev):    -1.5264

!    total energy              =     -12.05127445 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01474437    0.01647747   -0.39462041
     atom    2 type  2   force =    -0.00976301   -0.01002921   -0.04565661
     atom    3 type  2   force =    -0.01407911   -0.01538859    0.01574125
     atom    4 type  2   force =     0.00269352    0.00670150   -0.01711559
     atom    5 type  2   force =     0.00640423    0.00223883   -0.02711333

     Total force =     0.400379     Total SCF correction =     0.000103

     Entering Dynamics:    iteration =   485
                           time      =   0.0704 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4781288599        9.4772455623        9.0661799128
H            11.2543355131       11.2841516540        7.9024472189
H             8.0130301830        8.0214111622        7.3237579566
H             6.9762218794       10.6945516478        8.9779207569
H            10.7237623215        6.9920439464        8.9820849095


     kinetic energy (Ekin) =           0.01552612 Ry
     temperature           =         408.56347974 K 
     Ekin + Etot (const)   =         -12.03574833 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.1981671406

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     total cpu time spent up to now is       36.7 secs

     total energy              =     -12.05068257 Ry
     estimated scf accuracy    <       0.00000814 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.02E-07,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.7 secs

     total energy              =     -12.05068451 Ry
     estimated scf accuracy    <       0.00000308 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.85E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4032  -4.6403  -4.1677  -1.5196

     highest occupied level (ev):    -1.5196

!    total energy              =     -12.05068470 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01467249    0.01662331   -0.40711566
     atom    2 type  2   force =    -0.00988037   -0.01012789   -0.04578387
     atom    3 type  2   force =    -0.01397649   -0.01526889    0.01458390
     atom    4 type  2   force =     0.00277871    0.00662555   -0.01765932
     atom    5 type  2   force =     0.00640566    0.00214793   -0.02762173

     Total force =     0.412728     Total SCF correction =     0.000097

     Entering Dynamics:    iteration =   486
                           time      =   0.0705 pico-seconds


     Velocity rescaling: T ( 408.6K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4782970179        9.4774059604        9.0646135270
H            11.2526699986       11.2823606912        7.8937652873
H             8.0082768171        8.0164638650        7.3286990889
H             6.9764964987       10.6961550607        8.9736667165
H            10.7251836964        6.9926738524        8.9777158323


     kinetic energy (Ekin) =           0.01270385 Ry
     temperature           =         334.29649463 K 
     Ekin + Etot (const)   =         -12.03798086 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.0496028505

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       36.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.23E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       36.8 secs

     total energy              =     -12.05016086 Ry
     estimated scf accuracy    <       0.00000753 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.42E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.8 secs

     total energy              =     -12.05016197 Ry
     estimated scf accuracy    <       0.00000248 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.10E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       36.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4033  -4.6421  -4.1674  -1.5135

     highest occupied level (ev):    -1.5135

!    total energy              =     -12.05016211 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01460924    0.01674554   -0.42034124
     atom    2 type  2   force =    -0.00997404   -0.01020679   -0.04582192
     atom    3 type  2   force =    -0.01389260   -0.01516612    0.01479859
     atom    4 type  2   force =     0.00286477    0.00654278   -0.01924631
     atom    5 type  2   force =     0.00639263    0.00208459   -0.02900951

     Total force =     0.425951     Total SCF correction =     0.000092

     Entering Dynamics:    iteration =   487
                           time      =   0.0707 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4784703123        9.4775722459        9.0628993582
H            11.2509059961       11.2804689422        7.8846308900
H             8.0033862694        8.0113668109        7.3337863490
H             6.9767994061       10.6978230799        8.9692226296
H            10.7266681950        6.9933243425        8.9730603025


     kinetic energy (Ekin) =           0.01422819 Ry
     temperature           =         374.40891465 K 
     Ekin + Etot (const)   =         -12.03593392 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.2339560506

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.85E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.0 secs

     total energy              =     -12.04961825 Ry
     estimated scf accuracy    <       0.00000806 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.01E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.0 secs

     total energy              =     -12.04961947 Ry
     estimated scf accuracy    <       0.00000264 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.30E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4036  -4.6439  -4.1672  -1.5073

     highest occupied level (ev):    -1.5073

!    total energy              =     -12.04961962 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01457939    0.01688876   -0.43313237
     atom    2 type  2   force =    -0.01007881   -0.01029279   -0.04589458
     atom    3 type  2   force =    -0.01382277   -0.01507246    0.01467778
     atom    4 type  2   force =     0.00293686    0.00646633   -0.02045436
     atom    5 type  2   force =     0.00638533    0.00201016   -0.02978986

     Total force =     0.438691     Total SCF correction =     0.000110

     Entering Dynamics:    iteration =   488
                           time      =   0.0708 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4786487324        9.4777444691        9.0610329093
H            11.2490424709       11.2784755576        7.8750433095
H             7.9983592296        8.0061209247        7.3390185439
H             6.9771313134       10.6995549504        8.9645765674
H            10.7282157451        6.9939946817        8.9681106146


     kinetic energy (Ekin) =           0.01588902 Ry
     temperature           =         418.11298740 K 
     Ekin + Etot (const)   =         -12.03373060 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.4241211330

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.65E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.1 secs

     total energy              =     -12.04905439 Ry
     estimated scf accuracy    <       0.00000879 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.10E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.1 secs

     total energy              =     -12.04905572 Ry
     estimated scf accuracy    <       0.00000287 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.59E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4038  -4.6459  -4.1670  -1.5009

     highest occupied level (ev):    -1.5009

!    total energy              =     -12.04905589 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01454365    0.01701669   -0.44552690
     atom    2 type  2   force =    -0.01017812   -0.01037355   -0.04595893
     atom    3 type  2   force =    -0.01374852   -0.01497093    0.01425008
     atom    4 type  2   force =     0.00300511    0.00639050   -0.02124375
     atom    5 type  2   force =     0.00637788    0.00193730   -0.02993189

     Total force =     0.450973     Total SCF correction =     0.000124

     Entering Dynamics:    iteration =   489
                           time      =   0.0710 pico-seconds


     Velocity rescaling: T ( 418.1K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4788049780        9.4778963351        9.0592952787
H            11.2473634515       11.2766846097        7.8664682420
H             7.9939652701        8.0015295187        7.3435912346
H             6.9774421322       10.7010850500        8.9604313073
H            10.7295895898        6.9945816285        8.9636223749


     kinetic energy (Ekin) =           0.01281153 Ry
     temperature           =         337.13003213 K 
     Ekin + Etot (const)   =         -12.03624436 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.2341809887

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.2 secs

     total energy              =     -12.04855564 Ry
     estimated scf accuracy    <       0.00000697 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.72E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.2 secs

     total energy              =     -12.04855670 Ry
     estimated scf accuracy    <       0.00000227 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.84E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4040  -4.6475  -4.1667  -1.4954

     highest occupied level (ev):    -1.4954

!    total energy              =     -12.04855684 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01452870    0.01713254   -0.45862818
     atom    2 type  2   force =    -0.01026014   -0.01043963   -0.04602173
     atom    3 type  2   force =    -0.01369576   -0.01489198    0.01514091
     atom    4 type  2   force =     0.00305778    0.00632452   -0.02308954
     atom    5 type  2   force =     0.00636942    0.00187456   -0.03107549

     Total force =     0.464120     Total SCF correction =     0.000115

     Entering Dynamics:    iteration =   490
                           time      =   0.0711 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4789663317        9.4780542245        9.0573964042
H            11.2455831189       11.2747905763        7.8574387357
H             7.9894360725        7.9967910627        7.3483134333
H             6.9777831450       10.7026776006        8.9560580509
H            10.7310263288        6.9951870856        8.9588272821


     kinetic energy (Ekin) =           0.01447823 Ry
     temperature           =         380.98874922 K 
     Ekin + Etot (const)   =         -12.03407860 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.4351970081

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.32E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.3 secs

     total energy              =     -12.04803176 Ry
     estimated scf accuracy    <       0.00000758 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.47E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.3 secs

     total energy              =     -12.04803292 Ry
     estimated scf accuracy    <       0.00000247 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.09E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4044  -4.6493  -4.1665  -1.4896

     highest occupied level (ev):    -1.4896

!    total energy              =     -12.04803308 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01452647    0.01724903   -0.47126622
     atom    2 type  2   force =    -0.01034375   -0.01050577   -0.04607788
     atom    3 type  2   force =    -0.01364864   -0.01481497    0.01571392
     atom    4 type  2   force =     0.00310452    0.00625993   -0.02446472
     atom    5 type  2   force =     0.00636140    0.00181178   -0.03155308

     Total force =     0.476739     Total SCF correction =     0.000121

     Entering Dynamics:    iteration =   491
                           time      =   0.0713 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4791327925        9.4782181783        9.0553318426
H            11.2437006476       11.2727928044        7.8479542363
H             7.9847721023        7.9919063172        7.3531907981
H             6.9781548132       10.7043319646        8.9514432190
H            10.7325258832        6.9958104330        8.9537206203


     kinetic energy (Ekin) =           0.01630144 Ry
     temperature           =         428.96571847 K 
     Ekin + Etot (const)   =         -12.03173163 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :   -0.0000000000   -0.0000000000   -2.6416948872

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  9.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.5 secs

     total energy              =     -12.04748128 Ry
     estimated scf accuracy    <       0.00000826 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.03E-07,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.5 secs

     total energy              =     -12.04748256 Ry
     estimated scf accuracy    <       0.00000270 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.37E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4047  -4.6512  -4.1664  -1.4837

     highest occupied level (ev):    -1.4837

!    total energy              =     -12.04748273 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01453971    0.01737052   -0.48337890
     atom    2 type  2   force =    -0.01042687   -0.01057059   -0.04613361
     atom    3 type  2   force =    -0.01360978   -0.01474342    0.01595537
     atom    4 type  2   force =     0.00314519    0.00619495   -0.02533556
     atom    5 type  2   force =     0.00635176    0.00174854   -0.03135433

     Total force =     0.488765     Total SCF correction =     0.000128

     Entering Dynamics:    iteration =   492
                           time      =   0.0714 pico-seconds


     Velocity rescaling: T ( 429.0K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4792771115        9.4783613959        9.0534353548
H            11.2420234236       11.2710177382        7.8395670391
H             7.9807373498        7.9876757416        7.3574271688
H             6.9784966872       10.7057766401        8.9473337742
H            10.7338426436        6.9963489888        8.9491404382


     kinetic energy (Ekin) =           0.01292646 Ry
     temperature           =         340.15438133 K 
     Ekin + Etot (const)   =         -12.03455627 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.4035459488

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.6 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.07E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.6 secs

     total energy              =     -12.04699411 Ry
     estimated scf accuracy    <       0.00000644 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.05E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.6 secs

     total energy              =     -12.04699511 Ry
     estimated scf accuracy    <       0.00000210 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.62E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.6 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4050  -4.6528  -4.1662  -1.4784

     highest occupied level (ev):    -1.4784

!    total energy              =     -12.04699524 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01456999    0.01748237   -0.49636601
     atom    2 type  2   force =    -0.01049263   -0.01062093   -0.04618984
     atom    3 type  2   force =    -0.01359102   -0.01469543    0.01749202
     atom    4 type  2   force =     0.00317297    0.00613911   -0.02729016
     atom    5 type  2   force =     0.00634069    0.00169488   -0.03230240

     Total force =     0.501836     Total SCF correction =     0.000117

     Entering Dynamics:    iteration =   493
                           time      =   0.0716 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4794265529        9.4785107600        9.0513643552
H            11.2402425908       11.2691377963        7.8307237431
H             7.9765683935        7.9833000568        7.3618362634
H             6.9788698923       10.7072819359        8.9429548543
H            10.7352220149        6.9969042807        8.9442412880


     kinetic energy (Ekin) =           0.01474562 Ry
     temperature           =         388.02483481 K 
     Ekin + Etot (const)   =         -12.03224962 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6200903399

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.7 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.73E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.7 secs

     total energy              =     -12.04647560 Ry
     estimated scf accuracy    <       0.00000704 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.80E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.7 secs

     total energy              =     -12.04647671 Ry
     estimated scf accuracy    <       0.00000230 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.87E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.7 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4055  -4.6545  -4.1662  -1.4730

     highest occupied level (ev):    -1.4730

!    total energy              =     -12.04647686 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01461792    0.01759932   -0.50877475
     atom    2 type  2   force =    -0.01055888   -0.01067063   -0.04624089
     atom    3 type  2   force =    -0.01358230   -0.01465504    0.01865811
     atom    4 type  2   force =     0.00319334    0.00608558   -0.02867607
     atom    5 type  2   force =     0.00632991    0.00164078   -0.03255327

     Total force =     0.514255     Total SCF correction =     0.000123

     Entering Dynamics:    iteration =   494
                           time      =   0.0717 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4795811337        9.4786663116        9.0491144813
H            11.2383574950       11.2671524878        7.8214238443
H             7.9722653197        7.9787796618        7.3664295963
H             6.9792746300       10.7088473234        8.9382927744
H            10.7366638904        6.9974757744        8.9390206925


     kinetic energy (Ekin) =           0.01674143 Ry
     temperature           =         440.54374429 K 
     Ekin + Etot (const)   =         -12.02973543 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.8417609521

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       37.8 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  8.49E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.8 secs

     total energy              =     -12.04592394 Ry
     estimated scf accuracy    <       0.00000773 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.67E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       37.8 secs

     total energy              =     -12.04592518 Ry
     estimated scf accuracy    <       0.00000252 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  3.16E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       37.8 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4060  -4.6564  -4.1663  -1.4674

     highest occupied level (ev):    -1.4674

!    total energy              =     -12.04592534 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01468681    0.01772644   -0.52053978
     atom    2 type  2   force =    -0.01062343   -0.01071818   -0.04629416
     atom    3 type  2   force =    -0.01358724   -0.01462686    0.01942302
     atom    4 type  2   force =     0.00320648    0.00603253   -0.02945737
     atom    5 type  2   force =     0.00631738    0.00158606   -0.03210335

     Total force =     0.525952     Total SCF correction =     0.000131

     Entering Dynamics:    iteration =   495
                           time      =   0.0718 pico-seconds


     Velocity rescaling: T ( 440.5K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4797138594        9.4788009070        9.0470748452
H            11.2366969889       11.2654083493        7.8132923172
H             7.9685802004        7.9749049406        7.3704118662
H             6.9796402870       10.7101986695        8.9341546901
H            10.7379161257        6.9979630399        8.9343955862


     kinetic energy (Ekin) =           0.01304333 Ry
     temperature           =         343.22981294 K 
     Ekin + Etot (const)   =         -12.03288201 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.5517036120

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       38.0 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.50E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.0 secs

     total energy              =     -12.04543520 Ry
     estimated scf accuracy    <       0.00000592 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.41E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       38.0 secs

     total energy              =     -12.04543615 Ry
     estimated scf accuracy    <       0.00000193 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.41E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.0 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4065  -4.6579  -4.1664  -1.4624

     highest occupied level (ev):    -1.4624

!    total energy              =     -12.04543627 Ry
     estimated scf accuracy    <       0.00000005 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01476854    0.01784705   -0.53337416
     atom    2 type  2   force =    -0.01067166   -0.01075254   -0.04635121
     atom    3 type  2   force =    -0.01361110   -0.01462286    0.02145146
     atom    4 type  2   force =     0.00321029    0.00598808   -0.03137948
     atom    5 type  2   force =     0.00630394    0.00154026   -0.03295361

     Total force =     0.538907     Total SCF correction =     0.000119

     Entering Dynamics:    iteration =   496
                           time      =   0.0720 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4798517774        9.4789417771        9.0448476862
H            11.2349311061       11.2635580355        7.8047030980
H             7.9647606791        7.9708858269        7.3746059571
H             6.9800376437       10.7116091446        8.9297067510
H            10.7392306087        6.9984655147        8.9294450816


     kinetic energy (Ekin) =           0.01501892 Ry
     temperature           =         395.21677726 K 
     Ekin + Etot (const)   =         -12.03041735 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.7826246062

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       38.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.17E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.1 secs

     total energy              =     -12.04490806 Ry
     estimated scf accuracy    <       0.00000653 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  8.16E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       38.1 secs

     total energy              =     -12.04490912 Ry
     estimated scf accuracy    <       0.00000213 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.66E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.1 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4071  -4.6596  -4.1666  -1.4572

     highest occupied level (ev):    -1.4572

!    total energy              =     -12.04490926 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01487426    0.01797964   -0.54551295
     atom    2 type  2   force =    -0.01071945   -0.01078582   -0.04640538
     atom    3 type  2   force =    -0.01365127   -0.01463412    0.02301744
     atom    4 type  2   force =     0.00320550    0.00594695   -0.03263268
     atom    5 type  2   force =     0.00629097    0.00149336   -0.03309018

     Total force =     0.551082     Total SCF correction =     0.000126

     Entering Dynamics:    iteration =   497
                           time      =   0.0721 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4799949248        9.4790889685        9.0424287364
H            11.2330593747       11.2616012178        7.7956556518
H             7.9608063592        7.9667222095        7.3790273323
H             6.9804666529       10.7130783424        8.9249365825
H            10.7406072115        6.9989827355        8.9241678300


     kinetic energy (Ekin) =           0.01719155 Ry
     temperature           =         452.38840877 K 
     Ekin + Etot (const)   =         -12.02771771 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -3.0183553711

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       38.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  7.93E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.2 secs

     total energy              =     -12.04434054 Ry
     estimated scf accuracy    <       0.00000723 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  9.04E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       38.2 secs

     total energy              =     -12.04434174 Ry
     estimated scf accuracy    <       0.00000236 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.95E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.2 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4079  -4.6614  -4.1671  -1.4517

     highest occupied level (ev):    -1.4517

!    total energy              =     -12.04434189 Ry
     estimated scf accuracy    <       0.00000007 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01500748    0.01812945   -0.55688909
     atom    2 type  2   force =    -0.01076455   -0.01081637   -0.04646479
     atom    3 type  2   force =    -0.01371201   -0.01466583    0.02407689
     atom    4 type  2   force =     0.00319260    0.00590728   -0.03318314
     atom    5 type  2   force =     0.00627647    0.00144548   -0.03251277

     Total force =     0.562404     Total SCF correction =     0.000136

     Entering Dynamics:    iteration =   498
                           time      =   0.0723 pico-seconds


     Velocity rescaling: T ( 452.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4801167716        9.4792152060        9.0402631025
H            11.2314288582       11.2599009005        7.7878291556
H             7.9574508065        7.9631867992        7.3828655734
H             6.9808475367       10.7143330976        8.9207243865
H            10.7417902086        6.9994182015        8.9195493163


     kinetic energy (Ekin) =           0.01315864 Ry
     temperature           =         346.26428688 K 
     Ekin + Etot (const)   =         -12.03118324 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.6757946950

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       38.3 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  5.67E-08,  avg # of iterations =  4.0

     total cpu time spent up to now is       38.3 secs

     total energy              =     -12.04383776 Ry
     estimated scf accuracy    <       0.00000574 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.17E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       38.3 secs

     total energy              =     -12.04383863 Ry
     estimated scf accuracy    <       0.00000177 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.21E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.3 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4085  -4.6630  -4.1673  -1.4469

     highest occupied level (ev):    -1.4469

!    total energy              =     -12.04383873 Ry
     estimated scf accuracy    <       0.00000004 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01515495    0.01827962   -0.56948359
     atom    2 type  2   force =    -0.01078155   -0.01082033   -0.04655481
     atom    3 type  2   force =    -0.01380763   -0.01473873    0.02637167
     atom    4 type  2   force =     0.00318428    0.00586310   -0.03498234
     atom    5 type  2   force =     0.00624995    0.00141633   -0.03339347

     Total force =     0.575156     Total SCF correction =     0.000084

     Entering Dynamics:    iteration =   499
                           time      =   0.0724 pico-seconds


ATOMIC_POSITIONS (bohr)
Si            9.4802439465        9.4793478702        9.0378972503
H            11.2296918800       11.2580937385        7.7795429567
H             7.9539589112        7.9595058524        7.3869642201
H             6.9812598635       10.7156457476        8.9161667595
H            10.7430349205        6.9998676530        8.9146010607


     kinetic energy (Ekin) =           0.01529077 Ry
     temperature           =         402.37018738 K 
     Ekin + Etot (const)   =         -12.02854797 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.9201100912

     Writing config-only to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/
     NEW-OLD atomic charge density approx. for the potential

     total cpu time spent up to now is       38.5 secs

     Self-consistent Calculation

     iteration #  1     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  1.00E-06,  avg # of iterations =  3.0

     Threshold (ethr) on eigenvalues was too large:
     Diagonalizing with lowered threshold

     Davidson diagonalization with overlap
     ethr =  6.53E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.5 secs

     total energy              =     -12.04328909 Ry
     estimated scf accuracy    <       0.00000600 Ry

     iteration #  2     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  7.50E-08,  avg # of iterations =  1.0

     total cpu time spent up to now is       38.5 secs

     total energy              =     -12.04329012 Ry
     estimated scf accuracy    <       0.00000194 Ry

     iteration #  3     ecut=    20.00 Ry     beta= 0.40
     Davidson diagonalization with overlap
     ethr =  2.43E-08,  avg # of iterations =  2.0

     total cpu time spent up to now is       38.5 secs

     End of self-consistent calculation

          k = 0.0000 0.0000 0.0000 (   376 PWs)   bands (ev):

   -10.4094  -4.6646  -4.1682  -1.4418

     highest occupied level (ev):    -1.4418

!    total energy              =     -12.04329024 Ry
     estimated scf accuracy    <       0.00000006 Ry

     convergence has been achieved in   3 iterations

     Forces acting on atoms (cartesian axes, Ry/au):

     atom    1 type  1   force =     0.01532038    0.01844036   -0.58140743
     atom    2 type  2   force =    -0.01082375   -0.01085250   -0.04659424
     atom    3 type  2   force =    -0.01389049   -0.01479835    0.02810074
     atom    4 type  2   force =     0.00314737    0.00584597   -0.03598391
     atom    5 type  2   force =     0.00624650    0.00136452   -0.03351357

     Total force =     0.587128     Total SCF correction =     0.000131

     Entering Dynamics:    iteration =   500
                           time      =   0.0726 pico-seconds


     Velocity rescaling: T ( 402.4K) out of range, reset to  300.0

ATOMIC_POSITIONS (bohr)
Si            9.4803591447        9.4794689051        9.0356499953
H            11.2280851712       11.2564261443        7.7719279728
H             7.9508066001        7.9561813363        7.3907807614
H             6.9816469742       10.7168369084        8.9118760602
H            10.7441713736        7.0002692152        8.9099974582


     kinetic energy (Ekin) =           0.01329795 Ry
     temperature           =         349.93005470 K 
     Ekin + Etot (const)   =         -12.02999229 Ry
     Message from routine dynamics:
     Total linear momentum <> 0

     Linear momentum :    0.0000000000   -0.0000000000   -2.7534800421

     The maximum number of steps has been reached.

     End of molecular dynamics calculation

     diffusion coefficients :
     atom     1   D =       0.00001117 cm^2/s
     atom     2   D =       0.00071269 cm^2/s
     atom     3   D =       0.00032776 cm^2/s
     atom     4   D =       0.00033377 cm^2/s
     atom     5   D =       0.00033637 cm^2/s

     < D > =       0.00034435 cm^2/s

     Writing all to output data dir /home/pizza/codes/QEdev/q-e/tempdir/SiH4.save/

     init_run     :      0.15s CPU      0.15s WALL (       1 calls)
     electrons    :      4.33s CPU      4.65s WALL (     500 calls)
     update_pot   :      3.02s CPU      3.06s WALL (     499 calls)
     forces       :      1.41s CPU      1.52s WALL (     500 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       1 calls)
     potinit      :      0.01s CPU      0.01s WALL (       1 calls)
     hinit0       :      0.14s CPU      0.14s WALL (       1 calls)

     Called by electrons:
     c_bands      :      1.57s CPU      1.67s WALL (    2240 calls)
     sum_band     :      0.43s CPU      0.46s WALL (    2240 calls)
     v_of_rho     :      2.18s CPU      2.31s WALL (    2542 calls)
     mix_rho      :      0.16s CPU      0.17s WALL (    2240 calls)

     Called by c_bands:
     init_us_2    :      0.06s CPU      0.06s WALL (    4481 calls)
     init_us_2:cp :      0.05s CPU      0.05s WALL (    4481 calls)
     regterg      :      1.42s CPU      1.51s WALL (    2240 calls)

     Called by *egterg:
     rdiaghg      :      0.17s CPU      0.19s WALL (    6012 calls)
     h_psi        :      0.99s CPU      1.05s WALL (    6710 calls)
     g_psi        :      0.01s CPU      0.01s WALL (    4469 calls)

     Called by h_psi:
     h_psi:calbec :      0.08s CPU      0.09s WALL (    6710 calls)
     vloc_psi     :      0.85s CPU      0.90s WALL (    6710 calls)
     add_vuspsi   :      0.02s CPU      0.02s WALL (    6710 calls)

     General routines
     calbec       :      0.09s CPU      0.09s WALL (    8710 calls)
     fft          :      1.21s CPU      1.26s WALL (   21533 calls)
     ffts         :      0.09s CPU      0.10s WALL (    2240 calls)
     fftw         :      0.91s CPU      0.97s WALL (   29480 calls)

     Parallel routines

     PWSCF        :     37.69s CPU     38.59s WALL


   This run was terminated on:  17:39:25  21Sep2022            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
