
     Program PHONON v.6.1 starts on 16Mar2017 at 20:47:41 

     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);
          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     4 processors
     K-points division:     npool     =       4

     Reading data from directory:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/aluminum.save

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    109                 3479     3479     749


     Check: negative/imaginary core charge=   -0.000013    0.000000


     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
     With a half shift
     (  10q-points):
       N         xq(1)         xq(2)         xq(3) 
       1  -0.125000000   0.125000000   0.125000000
       2  -0.375000000   0.375000000  -0.125000000
       3   0.375000000  -0.375000000   0.625000000
       4   0.125000000  -0.125000000   0.375000000
       5  -0.125000000   0.625000000   0.125000000
       6   0.625000000  -0.125000000   0.875000000
       7   0.375000000   0.125000000   0.625000000
       8  -0.125000000  -0.875000000   0.125000000
       9  -0.375000000   0.375000000   0.375000000
      10   0.375000000  -0.375000000   1.125000000
     Because shifted q grid is used, q2r will not work !

     Calculation of q =   -0.1250000   0.1250000   0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     821



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   240 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_1/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 18.1

     total cpu time spent up to now is        9.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.1250000   0.1250000   0.1250000 )

      6 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   240

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :     8.62s CPU        12.84s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    13.7 secs   av.it.:   1.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.147E-01

      iter #   2 total cpu time :    14.8 secs   av.it.:   3.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.877E+02

      iter #   3 total cpu time :    15.8 secs   av.it.:   2.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.101E-03

      iter #   4 total cpu time :    16.6 secs   av.it.:   1.6
      thresh= 3.319E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.498E-08

      iter #   5 total cpu time :    17.7 secs   av.it.:   3.2
      thresh= 1.581E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.146E-06

      iter #   6 total cpu time :    18.4 secs   av.it.:   1.4
      thresh= 1.465E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.447E-09

      iter #   7 total cpu time :    19.4 secs   av.it.:   2.4
      thresh= 8.629E-06 alpha_mix =  0.700 |ddv_scf|^2 =  5.900E-12

      iter #   8 total cpu time :    20.4 secs   av.it.:   2.9
      thresh= 2.429E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.137E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    21.9 secs   av.it.:   1.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.634E-07

      iter #   2 total cpu time :    24.1 secs   av.it.:   2.7
      thresh= 6.029E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.679E-08

      iter #   3 total cpu time :    26.5 secs   av.it.:   2.8
      thresh= 1.637E-05 alpha_mix =  0.700 |ddv_scf|^2 =  9.082E-11

      iter #   4 total cpu time :    29.1 secs   av.it.:   3.0
      thresh= 9.530E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.449E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    8
     List of q in the star:
          1  -0.125000000   0.125000000   0.125000000
          2   0.125000000   0.125000000   0.125000000
          3  -0.125000000  -0.125000000   0.125000000
          4   0.125000000  -0.125000000  -0.125000000
          5  -0.125000000   0.125000000  -0.125000000
          6   0.125000000   0.125000000  -0.125000000
          7   0.125000000  -0.125000000   0.125000000
          8  -0.125000000  -0.125000000  -0.125000000

     Diagonalizing the dynamical matrix

     q = (   -0.125000000   0.125000000   0.125000000 ) 

 **************************************************************************
     freq (    1) =       1.994131 [THz] =      66.517053 [cm-1]
     freq (    2) =       1.994131 [THz] =      66.517053 [cm-1]
     freq (    3) =       3.709303 [THz] =     123.729045 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =         66.5  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        123.7  [cm-1]   --> A_1  L_1           

     Calculation of q =   -0.3750000   0.3750000  -0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     893



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   576 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_2/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.6

     total cpu time spent up to now is       27.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.3750000   0.3750000  -0.1250000 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   576

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :    38.84s CPU        50.51s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    53.3 secs   av.it.:   1.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.474E-05

      iter #   2 total cpu time :    56.9 secs   av.it.:   2.5
      thresh= 5.894E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.220E-04

      iter #   3 total cpu time :    60.2 secs   av.it.:   2.0
      thresh= 2.054E-03 alpha_mix =  0.700 |ddv_scf|^2 =  9.898E-08

      iter #   4 total cpu time :    63.0 secs   av.it.:   2.9
      thresh= 3.146E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.704E-09

      iter #   5 total cpu time :    66.0 secs   av.it.:   2.8
      thresh= 4.128E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.001E-11

      iter #   6 total cpu time :    69.8 secs   av.it.:   2.9
      thresh= 8.367E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.038E-10

      iter #   7 total cpu time :    72.4 secs   av.it.:   2.1
      thresh= 2.244E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.398E-12

      iter #   8 total cpu time :    75.0 secs   av.it.:   2.9
      thresh= 1.548E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.309E-12

      iter #   9 total cpu time :    78.1 secs   av.it.:   2.4
      thresh= 1.144E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.043E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    80.3 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.002E-04

      iter #   2 total cpu time :    83.6 secs   av.it.:   2.5
      thresh= 3.000E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.138E-02

      iter #   3 total cpu time :    86.6 secs   av.it.:   2.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.940E-08

      iter #   4 total cpu time :    89.4 secs   av.it.:   3.1
      thresh= 2.990E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.467E-09

      iter #   5 total cpu time :    92.5 secs   av.it.:   2.7
      thresh= 8.042E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.140E-10

      iter #   6 total cpu time :    95.5 secs   av.it.:   2.9
      thresh= 1.068E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.089E-11

      iter #   7 total cpu time :    98.6 secs   av.it.:   2.6
      thresh= 3.300E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.276E-11

      iter #   8 total cpu time :   102.3 secs   av.it.:   2.2
      thresh= 4.771E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.343E-12

      iter #   9 total cpu time :   105.5 secs   av.it.:   2.5
      thresh= 1.828E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.481E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   108.5 secs   av.it.:   1.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.399E-06

      iter #   2 total cpu time :   111.7 secs   av.it.:   2.5
      thresh= 1.183E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.043E-07

      iter #   3 total cpu time :   115.2 secs   av.it.:   2.6
      thresh= 3.230E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.621E-10

      iter #   4 total cpu time :   118.7 secs   av.it.:   2.8
      thresh= 1.903E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.422E-12

      iter #   5 total cpu time :   122.2 secs   av.it.:   3.0
      thresh= 1.192E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.799E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   24
     List of q in the star:
          1  -0.375000000   0.375000000  -0.125000000
          2   0.125000000   0.375000000   0.375000000
          3  -0.375000000  -0.125000000   0.375000000
          4   0.375000000   0.375000000  -0.125000000
          5  -0.375000000  -0.375000000  -0.125000000
          6  -0.125000000  -0.375000000  -0.375000000
          7   0.125000000  -0.375000000   0.375000000
          8  -0.125000000   0.375000000   0.375000000
          9   0.125000000   0.375000000  -0.375000000
         10   0.375000000  -0.125000000   0.375000000
         11   0.375000000   0.125000000  -0.375000000
         12  -0.375000000  -0.125000000  -0.375000000
         13  -0.375000000   0.125000000   0.375000000
         14   0.375000000  -0.125000000  -0.375000000
         15   0.375000000  -0.375000000  -0.125000000
         16   0.375000000   0.125000000   0.375000000
         17  -0.375000000   0.125000000  -0.375000000
         18  -0.125000000  -0.375000000   0.375000000
         19  -0.125000000   0.375000000  -0.375000000
         20   0.375000000   0.375000000   0.125000000
         21   0.125000000  -0.375000000  -0.375000000
         22   0.375000000  -0.375000000   0.125000000
         23  -0.375000000   0.375000000   0.125000000
         24  -0.375000000  -0.375000000   0.125000000

     Diagonalizing the dynamical matrix

     q = (   -0.375000000   0.375000000  -0.125000000 ) 

 **************************************************************************
     freq (    1) =       4.014400 [THz] =     133.905972 [cm-1]
     freq (    2) =       4.757500 [THz] =     158.693127 [cm-1]
     freq (    3) =       7.759793 [THz] =     258.838841 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        133.9  [cm-1]   --> A''                
     freq (  2 -  2) =        158.7  [cm-1]   --> A'                 
     freq (  3 -  3) =        258.8  [cm-1]   --> A'                 

     Calculation of q =    0.3750000  -0.3750000   0.6250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   576 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_3/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.8

     total cpu time spent up to now is       54.2 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3750000  -0.3750000   0.6250000 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   576

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :  1m40.91s CPU     2m32.24s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   154.5 secs   av.it.:   1.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.328E-05

      iter #   2 total cpu time :   157.2 secs   av.it.:   2.6
      thresh= 4.825E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.419E-05

      iter #   3 total cpu time :   160.0 secs   av.it.:   2.3
      thresh= 5.847E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.028E-07

      iter #   4 total cpu time :   162.9 secs   av.it.:   2.9
      thresh= 3.207E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.465E-08

      iter #   5 total cpu time :   165.6 secs   av.it.:   2.5
      thresh= 1.861E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.463E-11

      iter #   6 total cpu time :   169.8 secs   av.it.:   3.2
      thresh= 4.963E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.770E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   172.7 secs   av.it.:   1.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.934E-05

      iter #   2 total cpu time :   176.3 secs   av.it.:   2.6
      thresh= 5.417E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.598E-05

      iter #   3 total cpu time :   179.5 secs   av.it.:   2.4
      thresh= 5.998E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.689E-07

      iter #   4 total cpu time :   183.2 secs   av.it.:   2.8
      thresh= 6.074E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.732E-08

      iter #   5 total cpu time :   186.2 secs   av.it.:   2.7
      thresh= 1.932E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.251E-11

      iter #   6 total cpu time :   189.8 secs   av.it.:   3.2
      thresh= 4.745E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.591E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   192.9 secs   av.it.:   1.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.298E-06

      iter #   2 total cpu time :   196.3 secs   av.it.:   2.5
      thresh= 1.139E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.045E-07

      iter #   3 total cpu time :   199.9 secs   av.it.:   2.6
      thresh= 3.232E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.314E-10

      iter #   4 total cpu time :   203.5 secs   av.it.:   2.9
      thresh= 1.521E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.809E-12

      iter #   5 total cpu time :   207.6 secs   av.it.:   2.9
      thresh= 1.676E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.331E-14

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   24
     List of q in the star:
          1   0.375000000  -0.375000000   0.625000000
          2  -0.625000000  -0.375000000  -0.375000000
          3   0.375000000   0.625000000  -0.375000000
          4  -0.375000000  -0.375000000   0.625000000
          5   0.375000000   0.375000000   0.625000000
          6   0.625000000   0.375000000   0.375000000
          7  -0.625000000   0.375000000  -0.375000000
          8   0.625000000  -0.375000000  -0.375000000
          9  -0.625000000  -0.375000000   0.375000000
         10  -0.375000000   0.625000000  -0.375000000
         11  -0.375000000  -0.625000000   0.375000000
         12   0.375000000   0.625000000   0.375000000
         13   0.375000000  -0.625000000  -0.375000000
         14  -0.375000000   0.625000000   0.375000000
         15  -0.375000000   0.375000000   0.625000000
         16  -0.375000000  -0.625000000  -0.375000000
         17   0.375000000  -0.625000000   0.375000000
         18   0.625000000   0.375000000  -0.375000000
         19   0.625000000  -0.375000000   0.375000000
         20  -0.375000000  -0.375000000  -0.625000000
         21  -0.625000000   0.375000000   0.375000000
         22  -0.375000000   0.375000000  -0.625000000
         23   0.375000000  -0.375000000  -0.625000000
         24   0.375000000   0.375000000  -0.625000000

     Diagonalizing the dynamical matrix

     q = (    0.375000000  -0.375000000   0.625000000 ) 

 **************************************************************************
     freq (    1) =       4.642728 [THz] =     154.864732 [cm-1]
     freq (    2) =       5.494170 [THz] =     183.265786 [cm-1]
     freq (    3) =       9.491981 [THz] =     316.618401 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        154.9  [cm-1]   --> A''                
     freq (  2 -  2) =        183.3  [cm-1]   --> A'                 
     freq (  3 -  3) =        316.6  [cm-1]   --> A'                 

     Calculation of q =    0.1250000  -0.1250000   0.3750000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     869



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   576 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_4/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.7

     total cpu time spent up to now is       77.2 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.1250000  -0.1250000   0.3750000 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   576

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :  2m36.16s CPU     3m53.87s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   236.5 secs   av.it.:   1.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.318E-03

      iter #   2 total cpu time :   239.7 secs   av.it.:   2.5
      thresh= 6.571E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.828E-01

      iter #   3 total cpu time :   242.8 secs   av.it.:   2.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.633E-07

      iter #   4 total cpu time :   245.6 secs   av.it.:   3.0
      thresh= 4.041E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.724E-09

      iter #   5 total cpu time :   248.6 secs   av.it.:   2.7
      thresh= 8.789E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.484E-09

      iter #   6 total cpu time :   251.4 secs   av.it.:   2.0
      thresh= 4.984E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.238E-10

      iter #   7 total cpu time :   254.5 secs   av.it.:   2.6
      thresh= 1.113E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.064E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   257.5 secs   av.it.:   1.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.422E-03

      iter #   2 total cpu time :   260.4 secs   av.it.:   2.5
      thresh= 3.771E-03 alpha_mix =  0.700 |ddv_scf|^2 =  6.018E-02

      iter #   3 total cpu time :   263.3 secs   av.it.:   2.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.194E-07

      iter #   4 total cpu time :   266.4 secs   av.it.:   3.1
      thresh= 3.456E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.810E-09

      iter #   5 total cpu time :   269.6 secs   av.it.:   2.7
      thresh= 8.837E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.296E-08

      iter #   6 total cpu time :   272.2 secs   av.it.:   1.8
      thresh= 1.138E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.437E-11

      iter #   7 total cpu time :   276.6 secs   av.it.:   2.9
      thresh= 6.661E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.231E-12

      iter #   8 total cpu time :   280.2 secs   av.it.:   2.6
      thresh= 1.109E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.183E-15

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   283.5 secs   av.it.:   1.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.361E-06

      iter #   2 total cpu time :   286.6 secs   av.it.:   2.5
      thresh= 1.167E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.077E-07

      iter #   3 total cpu time :   290.6 secs   av.it.:   2.6
      thresh= 3.281E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.335E-10

      iter #   4 total cpu time :   293.8 secs   av.it.:   2.9
      thresh= 1.528E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.708E-12

      iter #   5 total cpu time :   297.2 secs   av.it.:   2.8
      thresh= 1.926E-07 alpha_mix =  0.700 |ddv_scf|^2 =  8.231E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   24
     List of q in the star:
          1   0.125000000  -0.125000000   0.375000000
          2  -0.375000000  -0.125000000  -0.125000000
          3   0.125000000   0.375000000  -0.125000000
          4  -0.125000000  -0.125000000   0.375000000
          5   0.125000000   0.125000000   0.375000000
          6   0.375000000   0.125000000   0.125000000
          7  -0.375000000   0.125000000  -0.125000000
          8   0.375000000  -0.125000000  -0.125000000
          9  -0.375000000  -0.125000000   0.125000000
         10  -0.125000000   0.375000000  -0.125000000
         11  -0.125000000  -0.375000000   0.125000000
         12   0.125000000   0.375000000   0.125000000
         13   0.125000000  -0.375000000  -0.125000000
         14  -0.125000000   0.375000000   0.125000000
         15  -0.125000000   0.125000000   0.375000000
         16  -0.125000000  -0.375000000  -0.125000000
         17   0.125000000  -0.375000000   0.125000000
         18   0.375000000   0.125000000  -0.125000000
         19   0.375000000  -0.125000000   0.125000000
         20  -0.125000000  -0.125000000  -0.375000000
         21  -0.375000000   0.125000000   0.125000000
         22  -0.125000000   0.125000000  -0.375000000
         23   0.125000000  -0.125000000  -0.375000000
         24   0.125000000   0.125000000  -0.375000000

     Diagonalizing the dynamical matrix

     q = (    0.125000000  -0.125000000   0.375000000 ) 

 **************************************************************************
     freq (    1) =       3.513187 [THz] =     117.187311 [cm-1]
     freq (    2) =       3.639218 [THz] =     121.391240 [cm-1]
     freq (    3) =       6.361238 [THz] =     212.188069 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        117.2  [cm-1]   --> A''                
     freq (  2 -  2) =        121.4  [cm-1]   --> A'                 
     freq (  3 -  3) =        212.2  [cm-1]   --> A'                 

     Calculation of q =   -0.1250000   0.6250000   0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     893



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   576 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_5/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.7

     total cpu time spent up to now is      104.4 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.1250000   0.6250000   0.1250000 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   576

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :  3m44.28s CPU     5m28.58s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   331.9 secs   av.it.:   1.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.785E-05

      iter #   2 total cpu time :   336.0 secs   av.it.:   2.5
      thresh= 8.237E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.521E-04

      iter #   3 total cpu time :   338.6 secs   av.it.:   2.1
      thresh= 1.876E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.108E-08

      iter #   4 total cpu time :   343.2 secs   av.it.:   2.9
      thresh= 2.666E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.129E-10

      iter #   5 total cpu time :   346.5 secs   av.it.:   2.9
      thresh= 2.032E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.345E-11

      iter #   6 total cpu time :   349.7 secs   av.it.:   2.9
      thresh= 3.668E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.562E-11

      iter #   7 total cpu time :   353.8 secs   av.it.:   2.3
      thresh= 5.061E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.007E-12

      iter #   8 total cpu time :   358.1 secs   av.it.:   2.7
      thresh= 1.417E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.702E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   362.1 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.921E-04

      iter #   2 total cpu time :   365.1 secs   av.it.:   2.5
      thresh= 1.386E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.008E-03

      iter #   3 total cpu time :   368.4 secs   av.it.:   2.1
      thresh= 3.175E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.357E-08

      iter #   4 total cpu time :   372.9 secs   av.it.:   2.9
      thresh= 2.712E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.313E-09

      iter #   5 total cpu time :   377.5 secs   av.it.:   2.8
      thresh= 3.623E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.198E-11

      iter #   6 total cpu time :   381.6 secs   av.it.:   3.0
      thresh= 3.461E-07 alpha_mix =  0.700 |ddv_scf|^2 =  5.866E-12

      iter #   7 total cpu time :   385.6 secs   av.it.:   2.5
      thresh= 2.422E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.887E-12

      iter #   8 total cpu time :   390.2 secs   av.it.:   2.4
      thresh= 2.211E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.337E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   394.2 secs   av.it.:   1.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.248E-06

      iter #   2 total cpu time :   399.0 secs   av.it.:   2.5
      thresh= 1.117E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.092E-07

      iter #   3 total cpu time :   403.7 secs   av.it.:   2.6
      thresh= 3.305E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.030E-10

      iter #   4 total cpu time :   408.7 secs   av.it.:   2.9
      thresh= 1.015E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.108E-12

      iter #   5 total cpu time :   413.5 secs   av.it.:   2.8
      thresh= 1.452E-07 alpha_mix =  0.700 |ddv_scf|^2 =  6.558E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   24
     List of q in the star:
          1  -0.125000000   0.625000000   0.125000000
          2  -0.125000000   0.125000000   0.625000000
          3  -0.625000000   0.125000000   0.125000000
          4   0.625000000   0.125000000   0.125000000
          5  -0.625000000  -0.125000000   0.125000000
          6   0.125000000  -0.625000000  -0.125000000
          7  -0.125000000  -0.625000000   0.125000000
          8   0.125000000   0.625000000   0.125000000
          9  -0.125000000   0.625000000  -0.125000000
         10   0.125000000   0.125000000   0.625000000
         11   0.125000000  -0.125000000  -0.625000000
         12  -0.125000000   0.125000000  -0.625000000
         13  -0.125000000  -0.125000000   0.625000000
         14   0.625000000   0.125000000  -0.125000000
         15   0.125000000  -0.625000000   0.125000000
         16   0.625000000  -0.125000000   0.125000000
         17  -0.625000000  -0.125000000  -0.125000000
         18   0.125000000  -0.125000000   0.625000000
         19   0.125000000   0.125000000  -0.625000000
         20   0.125000000   0.625000000  -0.125000000
         21  -0.125000000  -0.125000000  -0.625000000
         22  -0.125000000  -0.625000000  -0.125000000
         23   0.625000000  -0.125000000  -0.125000000
         24  -0.625000000   0.125000000  -0.125000000

     Diagonalizing the dynamical matrix

     q = (   -0.125000000   0.625000000   0.125000000 ) 

 **************************************************************************
     freq (    1) =       4.871792 [THz] =     162.505485 [cm-1]
     freq (    2) =       5.449095 [THz] =     181.762249 [cm-1]
     freq (    3) =       8.369256 [THz] =     279.168316 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        162.5  [cm-1]   --> A''                
     freq (  2 -  2) =        181.8  [cm-1]   --> A'                 
     freq (  3 -  3) =        279.2  [cm-1]   --> A'                 

     Calculation of q =    0.6250000  -0.1250000   0.8750000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    139                 3479     3479    1067



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=  1024 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_6/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.7

     total cpu time spent up to now is      150.5 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.6250000  -0.1250000   0.8750000 )

     No symmetry!

     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  1024

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :  5m18.98s CPU     7m45.95s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   472.1 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.351E-06

      iter #   2 total cpu time :   479.7 secs   av.it.:   2.7
      thresh= 2.086E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.470E-06

      iter #   3 total cpu time :   487.4 secs   av.it.:   2.6
      thresh= 1.212E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.774E-08

      iter #   4 total cpu time :   495.1 secs   av.it.:   2.8
      thresh= 2.403E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.584E-09

      iter #   5 total cpu time :   502.6 secs   av.it.:   2.8
      thresh= 7.472E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.535E-11

      iter #   6 total cpu time :   510.8 secs   av.it.:   3.1
      thresh= 5.035E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.323E-12

      iter #   7 total cpu time :   516.4 secs   av.it.:   2.9
      thresh= 1.150E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.021E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   522.8 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.891E-06

      iter #   2 total cpu time :   529.1 secs   av.it.:   2.6
      thresh= 2.809E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.747E-06

      iter #   3 total cpu time :   535.0 secs   av.it.:   2.5
      thresh= 1.936E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.872E-08

      iter #   4 total cpu time :   541.8 secs   av.it.:   2.8
      thresh= 2.207E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.505E-09

      iter #   5 total cpu time :   548.5 secs   av.it.:   2.9
      thresh= 3.879E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.540E-11

      iter #   6 total cpu time :   555.4 secs   av.it.:   3.0
      thresh= 3.924E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.575E-12

      iter #   7 total cpu time :   562.2 secs   av.it.:   2.8
      thresh= 1.255E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.386E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   567.6 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.463E-06

      iter #   2 total cpu time :   574.2 secs   av.it.:   2.7
      thresh= 1.861E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.964E-07

      iter #   3 total cpu time :   580.7 secs   av.it.:   2.7
      thresh= 8.924E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.247E-08

      iter #   4 total cpu time :   585.6 secs   av.it.:   2.8
      thresh= 2.291E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.816E-09

      iter #   5 total cpu time :   591.9 secs   av.it.:   2.8
      thresh= 8.256E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.692E-11

      iter #   6 total cpu time :   599.6 secs   av.it.:   3.1
      thresh= 5.189E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.706E-12

      iter #   7 total cpu time :   606.2 secs   av.it.:   2.8
      thresh= 1.306E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.101E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   48
     List of q in the star:
          1   0.625000000  -0.125000000   0.875000000
          2  -0.875000000  -0.125000000  -0.625000000
          3  -0.875000000  -0.625000000  -0.125000000
          4   0.125000000   0.875000000  -0.625000000
          5   0.125000000  -0.625000000   0.875000000
          6   0.625000000   0.875000000  -0.125000000
          7  -0.125000000  -0.625000000   0.875000000
          8   0.125000000   0.625000000   0.875000000
          9   0.875000000   0.125000000   0.625000000
         10  -0.875000000   0.125000000  -0.625000000
         11   0.875000000  -0.125000000  -0.625000000
         12  -0.875000000  -0.125000000   0.625000000
         13  -0.625000000   0.875000000  -0.125000000
         14  -0.625000000  -0.875000000   0.125000000
         15   0.625000000   0.875000000   0.125000000
         16   0.625000000  -0.875000000  -0.125000000
         17  -0.125000000   0.875000000   0.625000000
         18  -0.625000000   0.125000000   0.875000000
         19  -0.125000000  -0.875000000  -0.625000000
         20   0.125000000  -0.875000000   0.625000000
         21   0.875000000   0.625000000  -0.125000000
         22   0.875000000  -0.625000000   0.125000000
         23  -0.625000000  -0.125000000  -0.875000000
         24  -0.875000000   0.625000000   0.125000000
         25  -0.625000000   0.125000000  -0.875000000
         26   0.625000000  -0.125000000  -0.875000000
         27   0.625000000   0.125000000   0.875000000
         28  -0.625000000  -0.125000000   0.875000000
         29   0.625000000   0.125000000  -0.875000000
         30  -0.125000000   0.625000000   0.875000000
         31   0.125000000   0.625000000  -0.875000000
         32  -0.125000000  -0.625000000  -0.875000000
         33  -0.125000000   0.625000000  -0.875000000
         34   0.875000000  -0.125000000   0.625000000
         35  -0.875000000   0.125000000   0.625000000
         36   0.875000000   0.125000000  -0.625000000
         37   0.625000000  -0.875000000   0.125000000
         38   0.125000000  -0.625000000  -0.875000000
         39  -0.625000000  -0.875000000  -0.125000000
         40  -0.625000000   0.875000000   0.125000000
         41   0.125000000  -0.875000000  -0.625000000
         42  -0.125000000  -0.875000000   0.625000000
         43   0.125000000   0.875000000   0.625000000
         44  -0.125000000   0.875000000  -0.625000000
         45  -0.875000000  -0.625000000   0.125000000
         46  -0.875000000   0.625000000  -0.125000000
         47   0.875000000   0.625000000   0.125000000
         48   0.875000000  -0.625000000  -0.125000000

     Diagonalizing the dynamical matrix

     q = (    0.625000000  -0.125000000   0.875000000 ) 

 **************************************************************************
     freq (    1) =       5.934644 [THz] =     197.958423 [cm-1]
     freq (    2) =       7.655591 [THz] =     255.363036 [cm-1]
     freq (    3) =       8.888140 [THz] =     296.476446 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        198.0  [cm-1]   --> A                  
     freq (  2 -  2) =        255.4  [cm-1]   --> A                  
     freq (  3 -  3) =        296.5  [cm-1]   --> A                  

     Calculation of q =    0.3750000   0.1250000   0.6250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=  1024 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_7/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.7

     total cpu time spent up to now is      193.2 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3750000   0.1250000   0.6250000 )

     No symmetry!

     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=  1024

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A  To be done

     Representation     2      1 modes -A  To be done

     Representation     3      1 modes -A  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :  7m31.34s CPU    10m53.68s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   660.0 secs   av.it.:   1.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.972E-05

      iter #   2 total cpu time :   664.5 secs   av.it.:   2.6
      thresh= 5.451E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.638E-05

      iter #   3 total cpu time :   670.4 secs   av.it.:   2.3
      thresh= 8.740E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.346E-08

      iter #   4 total cpu time :   677.4 secs   av.it.:   2.9
      thresh= 2.710E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.274E-09

      iter #   5 total cpu time :   683.8 secs   av.it.:   2.8
      thresh= 6.538E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.105E-11

      iter #   6 total cpu time :   691.1 secs   av.it.:   3.1
      thresh= 4.588E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.183E-12

      iter #   7 total cpu time :   697.9 secs   av.it.:   2.8
      thresh= 1.478E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.104E-12

      iter #   8 total cpu time :   704.0 secs   av.it.:   2.4
      thresh= 2.026E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.266E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   709.5 secs   av.it.:   1.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.290E-05

      iter #   2 total cpu time :   715.9 secs   av.it.:   2.6
      thresh= 3.591E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.038E-05

      iter #   3 total cpu time :   722.0 secs   av.it.:   2.3
      thresh= 5.512E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.008E-07

      iter #   4 total cpu time :   727.0 secs   av.it.:   2.8
      thresh= 3.175E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.981E-09

      iter #   5 total cpu time :   733.6 secs   av.it.:   2.8
      thresh= 8.356E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.796E-11

      iter #   6 total cpu time :   740.6 secs   av.it.:   3.1
      thresh= 4.238E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.369E-12

      iter #   7 total cpu time :   747.9 secs   av.it.:   2.9
      thresh= 1.170E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.587E-12

      iter #   8 total cpu time :   753.9 secs   av.it.:   2.3
      thresh= 1.608E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.311E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   760.0 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.619E-05

      iter #   2 total cpu time :   766.3 secs   av.it.:   2.5
      thresh= 7.496E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.466E-04

      iter #   3 total cpu time :   772.5 secs   av.it.:   2.2
      thresh= 1.211E-03 alpha_mix =  0.700 |ddv_scf|^2 =  8.806E-08

      iter #   4 total cpu time :   777.5 secs   av.it.:   2.9
      thresh= 2.968E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.952E-09

      iter #   5 total cpu time :   784.1 secs   av.it.:   2.8
      thresh= 8.917E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.179E-11

      iter #   6 total cpu time :   791.1 secs   av.it.:   3.1
      thresh= 4.668E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.568E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   48
     List of q in the star:
          1   0.375000000   0.125000000   0.625000000
          2  -0.625000000   0.125000000  -0.375000000
          3  -0.625000000  -0.375000000   0.125000000
          4  -0.125000000   0.625000000  -0.375000000
          5  -0.125000000  -0.375000000   0.625000000
          6   0.375000000   0.625000000   0.125000000
          7   0.125000000  -0.375000000   0.625000000
          8  -0.125000000   0.375000000   0.625000000
          9   0.625000000  -0.125000000   0.375000000
         10  -0.625000000  -0.125000000  -0.375000000
         11   0.625000000   0.125000000  -0.375000000
         12  -0.625000000   0.125000000   0.375000000
         13  -0.375000000   0.625000000   0.125000000
         14  -0.375000000  -0.625000000  -0.125000000
         15   0.375000000   0.625000000  -0.125000000
         16   0.375000000  -0.625000000   0.125000000
         17   0.125000000   0.625000000   0.375000000
         18  -0.375000000  -0.125000000   0.625000000
         19   0.125000000  -0.625000000  -0.375000000
         20  -0.125000000  -0.625000000   0.375000000
         21   0.625000000   0.375000000   0.125000000
         22   0.625000000  -0.375000000  -0.125000000
         23  -0.375000000   0.125000000  -0.625000000
         24  -0.625000000   0.375000000  -0.125000000
         25  -0.375000000  -0.125000000  -0.625000000
         26   0.375000000   0.125000000  -0.625000000
         27   0.375000000  -0.125000000   0.625000000
         28  -0.375000000   0.125000000   0.625000000
         29   0.375000000  -0.125000000  -0.625000000
         30   0.125000000   0.375000000   0.625000000
         31  -0.125000000   0.375000000  -0.625000000
         32   0.125000000  -0.375000000  -0.625000000
         33   0.125000000   0.375000000  -0.625000000
         34   0.625000000   0.125000000   0.375000000
         35  -0.625000000  -0.125000000   0.375000000
         36   0.625000000  -0.125000000  -0.375000000
         37   0.375000000  -0.625000000  -0.125000000
         38  -0.125000000  -0.375000000  -0.625000000
         39  -0.375000000  -0.625000000   0.125000000
         40  -0.375000000   0.625000000  -0.125000000
         41  -0.125000000  -0.625000000  -0.375000000
         42   0.125000000  -0.625000000   0.375000000
         43  -0.125000000   0.625000000   0.375000000
         44   0.125000000   0.625000000  -0.375000000
         45  -0.625000000  -0.375000000  -0.125000000
         46  -0.625000000   0.375000000   0.125000000
         47   0.625000000   0.375000000  -0.125000000
         48   0.625000000  -0.375000000   0.125000000

     Diagonalizing the dynamical matrix

     q = (    0.375000000   0.125000000   0.625000000 ) 

 **************************************************************************
     freq (    1) =       5.030037 [THz] =     167.783975 [cm-1]
     freq (    2) =       6.336912 [THz] =     211.376636 [cm-1]
     freq (    3) =       8.877410 [THz] =     296.118540 [cm-1]
 **************************************************************************

     Mode symmetry, C_1 (1)     point group:

     freq (  1 -  1) =        167.8  [cm-1]   --> A                  
     freq (  2 -  2) =        211.4  [cm-1]   --> A                  
     freq (  3 -  3) =        296.1  [cm-1]   --> A                  

     Calculation of q =   -0.1250000  -0.8750000   0.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     941



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   576 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_8/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.8

     total cpu time spent up to now is      219.8 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.1250000  -0.8750000   0.1250000 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   576

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       :  9m28.47s CPU    13m40.44s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   823.6 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.448E-05

      iter #   2 total cpu time :   827.5 secs   av.it.:   2.6
      thresh= 3.806E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.177E-05

      iter #   3 total cpu time :   831.5 secs   av.it.:   2.4
      thresh= 3.430E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.245E-08

      iter #   4 total cpu time :   835.4 secs   av.it.:   2.9
      thresh= 2.499E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.063E-09

      iter #   5 total cpu time :   838.2 secs   av.it.:   2.8
      thresh= 6.374E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.590E-11

      iter #   6 total cpu time :   842.3 secs   av.it.:   3.1
      thresh= 3.987E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.003E-12

      iter #   7 total cpu time :   846.0 secs   av.it.:   2.8
      thresh= 1.001E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.675E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   849.3 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  8.269E-06

      iter #   2 total cpu time :   853.1 secs   av.it.:   2.6
      thresh= 2.876E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.946E-06

      iter #   3 total cpu time :   855.9 secs   av.it.:   2.4
      thresh= 2.438E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.375E-08

      iter #   4 total cpu time :   859.9 secs   av.it.:   2.8
      thresh= 2.716E-05 alpha_mix =  0.700 |ddv_scf|^2 =  5.059E-09

      iter #   5 total cpu time :   862.8 secs   av.it.:   2.8
      thresh= 7.113E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.640E-11

      iter #   6 total cpu time :   866.6 secs   av.it.:   3.1
      thresh= 4.049E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.008E-12

      iter #   7 total cpu time :   870.1 secs   av.it.:   2.8
      thresh= 1.004E-07 alpha_mix =  0.700 |ddv_scf|^2 =  7.609E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :   873.4 secs   av.it.:   1.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.185E-06

      iter #   2 total cpu time :   877.5 secs   av.it.:   2.6
      thresh= 1.089E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.100E-07

      iter #   3 total cpu time :   880.5 secs   av.it.:   2.6
      thresh= 3.317E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.338E-11

      iter #   4 total cpu time :   884.7 secs   av.it.:   2.9
      thresh= 8.566E-07 alpha_mix =  0.700 |ddv_scf|^2 =  3.050E-12

      iter #   5 total cpu time :   888.7 secs   av.it.:   2.6
      thresh= 1.746E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.573E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   24
     List of q in the star:
          1  -0.125000000  -0.875000000   0.125000000
          2  -0.125000000   0.125000000  -0.875000000
          3   0.875000000   0.125000000   0.125000000
          4  -0.875000000   0.125000000   0.125000000
          5   0.875000000  -0.125000000   0.125000000
          6   0.125000000   0.875000000  -0.125000000
          7  -0.125000000   0.875000000   0.125000000
          8   0.125000000  -0.875000000   0.125000000
          9  -0.125000000  -0.875000000  -0.125000000
         10   0.125000000   0.125000000  -0.875000000
         11   0.125000000  -0.125000000   0.875000000
         12  -0.125000000   0.125000000   0.875000000
         13  -0.125000000  -0.125000000  -0.875000000
         14  -0.875000000   0.125000000  -0.125000000
         15   0.125000000   0.875000000   0.125000000
         16  -0.875000000  -0.125000000   0.125000000
         17   0.875000000  -0.125000000  -0.125000000
         18   0.125000000  -0.125000000  -0.875000000
         19   0.125000000   0.125000000   0.875000000
         20   0.125000000  -0.875000000  -0.125000000
         21  -0.125000000  -0.125000000   0.875000000
         22  -0.125000000   0.875000000  -0.125000000
         23  -0.875000000  -0.125000000  -0.125000000
         24   0.875000000   0.125000000  -0.125000000

     Diagonalizing the dynamical matrix

     q = (   -0.125000000  -0.875000000   0.125000000 ) 

 **************************************************************************
     freq (    1) =       5.791055 [THz] =     193.168794 [cm-1]
     freq (    2) =       6.399379 [THz] =     213.460320 [cm-1]
     freq (    3) =       9.457051 [THz] =     315.453256 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        193.2  [cm-1]   --> A''                
     freq (  2 -  2) =        213.5  [cm-1]   --> A'                 
     freq (  3 -  3) =        315.5  [cm-1]   --> A'                 

     Calculation of q =   -0.3750000   0.3750000   0.3750000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    121                 3479     3479     893



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   240 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_9/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 18.0

     total cpu time spent up to now is      232.9 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (  -0.3750000   0.3750000   0.3750000 )

      6 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   240

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_3v (3m)   point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  L_1  To be done

     Representation     2      2 modes -E    L_3  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       : 10m25.56s CPU    15m 3.58s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   905.0 secs   av.it.:   1.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.751E-04

      iter #   2 total cpu time :   906.8 secs   av.it.:   2.5
      thresh= 1.659E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.530E-03

      iter #   3 total cpu time :   908.2 secs   av.it.:   2.0
      thresh= 3.912E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.712E-07

      iter #   4 total cpu time :   909.8 secs   av.it.:   2.9
      thresh= 5.208E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.214E-08

      iter #   5 total cpu time :   911.7 secs   av.it.:   2.7
      thresh= 1.488E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.446E-10

      iter #   6 total cpu time :   913.1 secs   av.it.:   2.9
      thresh= 1.203E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.372E-12

      iter #   7 total cpu time :   914.8 secs   av.it.:   2.8
      thresh= 1.171E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.799E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :   917.5 secs   av.it.:   1.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.392E-07

      iter #   2 total cpu time :   920.3 secs   av.it.:   2.7
      thresh= 5.824E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.597E-08

      iter #   3 total cpu time :   923.5 secs   av.it.:   2.8
      thresh= 1.612E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.160E-11

      iter #   4 total cpu time :   927.1 secs   av.it.:   3.0
      thresh= 9.033E-07 alpha_mix =  0.700 |ddv_scf|^2 =  4.451E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    8
     List of q in the star:
          1  -0.375000000   0.375000000   0.375000000
          2   0.375000000   0.375000000   0.375000000
          3  -0.375000000  -0.375000000   0.375000000
          4   0.375000000  -0.375000000  -0.375000000
          5  -0.375000000   0.375000000  -0.375000000
          6   0.375000000   0.375000000  -0.375000000
          7   0.375000000  -0.375000000   0.375000000
          8  -0.375000000  -0.375000000  -0.375000000

     Diagonalizing the dynamical matrix

     q = (   -0.375000000   0.375000000   0.375000000 ) 

 **************************************************************************
     freq (    1) =       4.239067 [THz] =     141.400056 [cm-1]
     freq (    2) =       4.239067 [THz] =     141.400056 [cm-1]
     freq (    3) =       8.970925 [THz] =     299.237853 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =        141.4  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        299.2  [cm-1]   --> A_1  L_1           

     Calculation of q =    0.3750000  -0.3750000   1.1250000

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input
     [opt_tetra]  Optimized tetrahedron method is used.

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         301     301    139                 3479     3479    1067



     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     150.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   7.628217  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) = (  -0.500000   0.000000   0.500000 )  
               a(2) = (   0.000000   0.500000   0.500000 )  
               a(3) = (  -0.500000   0.500000   0.000000 )  

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


     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Al             3.00    26.98000     Al( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Al  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   576 (tetrahedron method)

     Number of k-points >= 100: set verbosity='high' to print them.

     Dense  grid:     3479 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       1.80MB

     Estimated total allocated dynamical RAM >       7.21MB

     Check: negative/imaginary core charge=   -0.000013    0.000000

     The potential is recalculated from file :
     /mnt/c/Users/kawamuura/program/QE/qe_priv/tempdir/_ph0/aluminum.q_10/aluminum.save/charge-density.dat

     Starting wfc are    4 atomic +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 17.7

     total cpu time spent up to now is      259.9 secs

     End of band structure calculation

     Number of k-points >= 100: set verbosity='high' to print the bands.

     the Fermi energy is     7.8971 ev

     Writing output data file aluminum.save
 
     [dfpt_tetra]  Dos(E_F)[/Ry] :   0.4137254E+01

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.6282  a.u.
     unit-cell volume          =     110.9709 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      40.0000  Ry
     charge density cut-off    =     150.0000  Ry
     convergence threshold     =      1.0E-12
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)


     celldm(1)=    7.62822  celldm(2)=    0.00000  celldm(3)=    0.00000
     celldm(4)=    0.00000  celldm(5)=    0.00000  celldm(6)=    0.00000

     crystal axes: (cart. coord. in units of alat)
               a(1) = ( -0.5000  0.0000  0.5000 )  
               a(2) = (  0.0000  0.5000  0.5000 )  
               a(3) = ( -0.5000  0.5000  0.0000 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = ( -1.0000 -1.0000  1.0000 )  
               b(2) = (  1.0000  1.0000  1.0000 )  
               b(3) = ( -1.0000  1.0000 -1.0000 )  


     Atoms inside the unit cell: 

     Cartesian axes

     site n.  atom      mass           positions (alat units)
        1     Al  26.9800   tau(    1) = (    0.00000    0.00000    0.00000  )

     Computing dynamical matrix for 
                    q = (   0.3750000  -0.3750000   1.1250000 )

      2 Sym.Ops. (no q -> -q+G )


     G cutoff =  221.0943  (   3479 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=   576

     PseudoPot. # 1 for Al read from file:
     /mnt/c/Users/kawamuura/program/QE/qe_priv/pseudo/Al.pbe-n-rrkjus_psl.0.1.UPF
     MD5 check sum: 6479f6627750700cef6db36d98bbe09a
     Pseudo is Ultrasoft + core correction, Zval =  3.0
     Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
     Using radial grid of 1135 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with 0 coefficients 


     Mode symmetry, C_s (m)     point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A'  To be done

     Representation     2      1 modes -A'  To be done

     Representation     3      1 modes -A''  To be done



     Alpha used in Ewald sum =   1.7000
     PHONON       : 11m 5.66s CPU    15m58.52s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :   961.1 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.974E-06

      iter #   2 total cpu time :   965.2 secs   av.it.:   2.7
      thresh= 2.444E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.212E-06

      iter #   3 total cpu time :   969.1 secs   av.it.:   2.6
      thresh= 1.487E-04 alpha_mix =  0.700 |ddv_scf|^2 =  7.419E-08

      iter #   4 total cpu time :   973.3 secs   av.it.:   2.8
      thresh= 2.724E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.484E-08

      iter #   5 total cpu time :   976.6 secs   av.it.:   2.6
      thresh= 1.576E-05 alpha_mix =  0.700 |ddv_scf|^2 =  6.937E-11

      iter #   6 total cpu time :   980.8 secs   av.it.:   3.1
      thresh= 8.329E-07 alpha_mix =  0.700 |ddv_scf|^2 =  2.138E-12

      iter #   7 total cpu time :   984.3 secs   av.it.:   2.8
      thresh= 1.462E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.563E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :   987.9 secs   av.it.:   1.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.921E-05

      iter #   2 total cpu time :   992.1 secs   av.it.:   2.6
      thresh= 4.383E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.543E-05

      iter #   3 total cpu time :   995.2 secs   av.it.:   2.4
      thresh= 3.928E-04 alpha_mix =  0.700 |ddv_scf|^2 =  6.778E-08

      iter #   4 total cpu time :   999.5 secs   av.it.:   2.9
      thresh= 2.603E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.347E-08

      iter #   5 total cpu time :  1002.4 secs   av.it.:   2.7
      thresh= 1.161E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.771E-11

      iter #   6 total cpu time :  1007.0 secs   av.it.:   3.1
      thresh= 6.141E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.976E-12

      iter #   7 total cpu time :  1010.0 secs   av.it.:   2.8
      thresh= 1.406E-07 alpha_mix =  0.700 |ddv_scf|^2 =  1.331E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :  1012.4 secs   av.it.:   1.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.254E-06

      iter #   2 total cpu time :  1016.5 secs   av.it.:   2.5
      thresh= 1.120E-04 alpha_mix =  0.700 |ddv_scf|^2 =  1.041E-07

      iter #   3 total cpu time :  1019.4 secs   av.it.:   2.6
      thresh= 3.227E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.674E-10

      iter #   4 total cpu time :  1023.4 secs   av.it.:   2.9
      thresh= 1.294E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.961E-12

      iter #   5 total cpu time :  1027.5 secs   av.it.:   2.8
      thresh= 1.990E-07 alpha_mix =  0.700 |ddv_scf|^2 =  9.976E-15

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =   24
     List of q in the star:
          1   0.375000000  -0.375000000   1.125000000
          2  -1.125000000  -0.375000000  -0.375000000
          3   0.375000000   1.125000000  -0.375000000
          4  -0.375000000  -0.375000000   1.125000000
          5   0.375000000   0.375000000   1.125000000
          6   1.125000000   0.375000000   0.375000000
          7  -1.125000000   0.375000000  -0.375000000
          8   1.125000000  -0.375000000  -0.375000000
          9  -1.125000000  -0.375000000   0.375000000
         10  -0.375000000   1.125000000  -0.375000000
         11  -0.375000000  -1.125000000   0.375000000
         12   0.375000000   1.125000000   0.375000000
         13   0.375000000  -1.125000000  -0.375000000
         14  -0.375000000   1.125000000   0.375000000
         15  -0.375000000   0.375000000   1.125000000
         16  -0.375000000  -1.125000000  -0.375000000
         17   0.375000000  -1.125000000   0.375000000
         18   1.125000000   0.375000000  -0.375000000
         19   1.125000000  -0.375000000   0.375000000
         20  -0.375000000  -0.375000000  -1.125000000
         21  -1.125000000   0.375000000   0.375000000
         22  -0.375000000   0.375000000  -1.125000000
         23   0.375000000  -0.375000000  -1.125000000
         24   0.375000000   0.375000000  -1.125000000

     Diagonalizing the dynamical matrix

     q = (    0.375000000  -0.375000000   1.125000000 ) 

 **************************************************************************
     freq (    1) =       5.360450 [THz] =     178.805361 [cm-1]
     freq (    2) =       7.620592 [THz] =     254.195596 [cm-1]
     freq (    3) =       9.083866 [THz] =     303.005152 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        178.8  [cm-1]   --> A''                
     freq (  2 -  2) =        254.2  [cm-1]   --> A'                 
     freq (  3 -  3) =        303.0  [cm-1]   --> A'                 

     init_run     :      6.25s CPU      9.36s WALL (      10 calls)
     electrons    :    174.17s CPU    239.32s WALL (      10 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.35s WALL (      10 calls)
     potinit      :      0.23s CPU      0.67s WALL (      10 calls)

     Called by electrons:
     c_bands      :    171.59s CPU    236.69s WALL (      10 calls)
     v_of_rho     :      0.23s CPU      0.22s WALL (      11 calls)
     newd         :      0.05s CPU      0.06s WALL (      11 calls)

     Called by c_bands:
     init_us_2    :      5.77s CPU      7.39s WALL (   21434 calls)
     cegterg      :    156.09s CPU    193.20s WALL (    1915 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :    383.17s CPU    499.63s WALL (  130243 calls)
     s_psi        :     13.72s CPU     18.32s WALL (  243953 calls)
     g_psi        :      0.81s CPU      1.20s WALL (   28124 calls)
     cdiaghg      :      7.00s CPU      9.17s WALL (   29620 calls)

     Called by h_psi:
     h_psi:pot    :    381.50s CPU    496.86s WALL (  130243 calls)
     h_psi:calbec :      8.91s CPU     12.37s WALL (  130243 calls)
     vloc_psi     :    364.58s CPU    473.22s WALL (  130243 calls)
     add_vuspsi   :      7.28s CPU      9.54s WALL (  130243 calls)

     General routines
     calbec       :     20.53s CPU     27.05s WALL (  280647 calls)
     fft          :      1.42s CPU      1.87s WALL (    3354 calls)
     ffts         :      1.25s CPU      1.59s WALL (    2358 calls)
     fftw         :    491.53s CPU    637.08s WALL ( 1134150 calls)
     davcio       :      0.73s CPU      9.82s WALL (   82316 calls)

     Parallel routines
     fft_scatter  :     26.48s CPU     37.93s WALL ( 1139862 calls)

     PHONON       : 11m54.61s CPU    17m 7.81s WALL

     INITIALIZATION: 
     phq_setup    :      1.27s CPU      1.88s WALL (      10 calls)
     phq_init     :     22.81s CPU     29.36s WALL (      10 calls)

     phq_init     :     22.81s CPU     29.36s WALL (      10 calls)
     set_drhoc    :      6.08s CPU      7.46s WALL (      30 calls)
     init_vloc    :      0.03s CPU      0.05s WALL (      11 calls)
     init_us_1    :      5.16s CPU      7.01s WALL (      11 calls)
     newd         :      0.05s CPU      0.06s WALL (      11 calls)
     dvanqq       :      0.38s CPU      0.45s WALL (      10 calls)
     drho         :     12.80s CPU     16.55s WALL (      10 calls)

     DYNAMICAL MATRIX:
     dynmat0      :      5.31s CPU      7.38s WALL (      10 calls)
     phqscf       :    497.19s CPU    732.50s WALL (      10 calls)
     dynmatrix    :      0.09s CPU      0.29s WALL (      10 calls)

     phqscf       :    497.19s CPU    732.50s WALL (      10 calls)
     solve_linter :    494.94s CPU    727.58s WALL (      28 calls)
     drhodv       :      2.08s CPU      3.11s WALL (      28 calls)

     dynmat0      :      5.31s CPU      7.38s WALL (      10 calls)
     dynmat_us    :      1.08s CPU      1.62s WALL (      10 calls)
     d2ionq       :      0.00s CPU      0.02s WALL (      10 calls)
     dynmatcc     :      4.19s CPU      5.35s WALL (      10 calls)

     dynmat_us    :      1.08s CPU      1.62s WALL (      10 calls)
     addusdynmat  :      0.00s CPU      0.00s WALL (      10 calls)

     phqscf       :    497.19s CPU    732.50s WALL (      10 calls)
     solve_linter :    494.94s CPU    727.58s WALL (      28 calls)

     solve_linter :    494.94s CPU    727.58s WALL (      28 calls)
     dvqpsi_us    :     16.84s CPU     22.13s WALL (    2244 calls)
     ortho        :      6.67s CPU      8.61s WALL (   15002 calls)
     cgsolve      :    284.56s CPU    384.02s WALL (   15002 calls)
     incdrhoscf   :     91.11s CPU    120.56s WALL (   15002 calls)
     addusddens   :      2.12s CPU      2.74s WALL (     213 calls)
     vpsifft      :     76.78s CPU    100.12s WALL (   12758 calls)
     dv_of_drho   :      1.66s CPU      1.95s WALL (     193 calls)
     mix_pot      :      0.25s CPU      3.68s WALL (     185 calls)
     psymdvscf    :      0.66s CPU      0.81s WALL (     142 calls)
     newdq        :      1.72s CPU      2.02s WALL (     185 calls)
     adddvscf     :      1.56s CPU      2.58s WALL (   12758 calls)
     drhodvus     :      0.03s CPU      0.06s WALL (      28 calls)

     dvqpsi_us    :     16.84s CPU     22.13s WALL (    2244 calls)
     dvqpsi_us_on :      1.59s CPU      2.13s WALL (    2244 calls)

     cgsolve      :    284.56s CPU    384.02s WALL (   15002 calls)
     ch_psi       :    278.45s CPU    376.00s WALL (   98708 calls)

     ch_psi       :    278.45s CPU    376.00s WALL (   98708 calls)
     h_psi        :    383.17s CPU    499.63s WALL (  130243 calls)
     last         :     19.42s CPU     27.18s WALL (   98708 calls)

     h_psi        :    383.17s CPU    499.63s WALL (  130243 calls)
     add_vuspsi   :      7.28s CPU      9.54s WALL (  130243 calls)

     incdrhoscf   :     91.11s CPU    120.56s WALL (   15002 calls)
     addusdbec    :      2.45s CPU      3.47s WALL (   17246 calls)

     drhodvus     :      0.03s CPU      0.06s WALL (      28 calls)

      General routines
     calbec       :     20.53s CPU     27.05s WALL (  280647 calls)
     fft          :      1.42s CPU      1.87s WALL (    3354 calls)
     ffts         :      1.25s CPU      1.59s WALL (    2358 calls)
     fftw         :    491.53s CPU    637.08s WALL ( 1134150 calls)
     davcio       :      0.73s CPU      9.82s WALL (   82316 calls)
     write_rec    :      0.56s CPU      7.10s WALL (     213 calls)


     PHONON       : 11m54.61s CPU    17m 7.81s WALL


   This run was terminated on:  21: 4:48  16Mar2017            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
