
     Program PHONON v.6.0 (svn rev. 13286) starts on  7Feb2017 at 14: 2: 0 

     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     2 processors
     R & G space division:  proc/nbgrp/npool/nimage =       2

     Reading data from directory:
     /home/pietro/espresso-svn/tempdir/al.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      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          60      60     21                  434      434      90
     Max          61      61     22                  435      435      91
     Sum         121     121     43                  869      869     181



     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
     (   8q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.250000000   0.250000000  -0.250000000
       3   0.500000000  -0.500000000   0.500000000
       4   0.000000000   0.500000000   0.000000000
       5   0.750000000  -0.250000000   0.750000000
       6   0.500000000   0.000000000   0.500000000
       7   0.000000000  -1.000000000   0.000000000
       8  -0.500000000  -1.000000000   0.000000000

     Calculation of q =    0.0000000   0.0000000   0.0000000

                                                                                

     bravais-lattice index     =            2
     lattice parameter (alat)  =       7.5000  a.u.
     unit-cell volume          =     105.4688 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     kinetic-energy cut-off    =      15.0000  Ry
     charge density cut-off    =      60.0000  Ry
     convergence threshold     =      1.0E-10
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)


     celldm(1)=    7.50000  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 = (   0.0000000   0.0000000   0.0000000 )

     49 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    435 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=    29  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     /home/pietro/espresso-svn/pseudo/Al.pz-vbc.UPF
     MD5 check sum: 614279c88ff8d45c90147292d03ed420
     Pseudo is Norm-conserving, Zval =  3.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  171 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, O_h (m-3m)  point group:


     Atomic displacements:
     There are   1 irreducible representations

     Representation     1      3 modes -T_1u G_15  G_4-  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     0.18s CPU         0.19s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation

     Pert. #  1: Fermi energy shift (Ry) =    -8.2718E-24    -2.5077E-37
     Pert. #  2: Fermi energy shift (Ry) =    -1.2959E-23     3.6048E-37
     Pert. #  3: Fermi energy shift (Ry) =    -6.8932E-25     3.1347E-38

      iter #   1 total cpu time :     0.2 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.257E-08

     Pert. #  1: Fermi energy shift (Ry) =     6.6174E-24    -1.2245E-40
     Pert. #  2: Fermi energy shift (Ry) =    -1.3786E-24     1.0408E-39
     Pert. #  3: Fermi energy shift (Ry) =     2.8951E-24     0.0000E+00

      iter #   2 total cpu time :     0.3 secs   av.it.:   5.5
      thresh= 1.121E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.314E-09

     Pert. #  1: Fermi energy shift (Ry) =     2.3713E-23    -1.6224E-39
     Pert. #  2: Fermi energy shift (Ry) =    -1.2959E-23     1.1020E-39
     Pert. #  3: Fermi energy shift (Ry) =     4.1359E-24    -4.2857E-40

      iter #   3 total cpu time :     0.4 secs   av.it.:   5.3
      thresh= 3.625E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.570E-13

     End of self-consistent calculation

     Convergence has been achieved 

     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.171792 [THz] =       5.730349 [cm-1]
     freq (    2) =       0.171792 [THz] =       5.730349 [cm-1]
     freq (    3) =       0.171792 [THz] =       5.730349 [cm-1]
 **************************************************************************

     Mode symmetry, O_h (m-3m)  point group:

     freq (  1 -  3) =          5.7  [cm-1]   --> T_1u G_15  G_4- I  
     electron-phonon interaction  ...

     Gaussian Broadening:   0.005 Ry, ngauss=   0
     DOS =  1.339210 states/spin/Ry/Unit Cell at Ef=  8.321793 eV
     lambda(    1)=  0.0000   gamma=    0.00 GHz
     lambda(    2)=  0.0000   gamma=    0.00 GHz
     lambda(    3)=  0.0000   gamma=    0.00 GHz
     Gaussian Broadening:   0.010 Ry, ngauss=   0
     DOS =  1.881761 states/spin/Ry/Unit Cell at Ef=  8.327153 eV
     lambda(    1)=  0.0000   gamma=    0.00 GHz
     lambda(    2)=  0.0000   gamma=    0.00 GHz
     lambda(    3)=  0.0000   gamma=    0.00 GHz
     Gaussian Broadening:   0.015 Ry, ngauss=   0
     DOS =  2.123229 states/spin/Ry/Unit Cell at Ef=  8.328621 eV
     lambda(    1)=  0.0000   gamma=    0.00 GHz
     lambda(    2)=  0.0000   gamma=    0.00 GHz
     lambda(    3)=  0.0000   gamma=    0.00 GHz
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.249739 states/spin/Ry/Unit Cell at Ef=  8.324319 eV
     lambda(    1)=  0.0000   gamma=    0.02 GHz
     lambda(    2)=  0.0000   gamma=    0.03 GHz
     lambda(    3)=  0.0000   gamma=    0.03 GHz
     Gaussian Broadening:   0.025 Ry, ngauss=   0
     DOS =  2.329803 states/spin/Ry/Unit Cell at Ef=  8.317861 eV
     lambda(    1)=  0.0000   gamma=    0.08 GHz
     lambda(    2)=  0.0000   gamma=    0.10 GHz
     lambda(    3)=  0.0000   gamma=    0.09 GHz
     Gaussian Broadening:   0.030 Ry, ngauss=   0
     DOS =  2.396029 states/spin/Ry/Unit Cell at Ef=  8.311296 eV
     lambda(    1)=  0.0000   gamma=    0.16 GHz
     lambda(    2)=  0.0000   gamma=    0.19 GHz
     lambda(    3)=  0.0000   gamma=    0.17 GHz
     Gaussian Broadening:   0.035 Ry, ngauss=   0
     DOS =  2.455226 states/spin/Ry/Unit Cell at Ef=  8.305262 eV
     lambda(    1)=  0.0000   gamma=    0.25 GHz
     lambda(    2)=  0.0000   gamma=    0.28 GHz
     lambda(    3)=  0.0000   gamma=    0.26 GHz
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.507873 states/spin/Ry/Unit Cell at Ef=  8.299956 eV
     lambda(    1)=  0.0000   gamma=    0.35 GHz
     lambda(    2)=  0.0000   gamma=    0.39 GHz
     lambda(    3)=  0.0000   gamma=    0.37 GHz
     Gaussian Broadening:   0.045 Ry, ngauss=   0
     DOS =  2.552966 states/spin/Ry/Unit Cell at Ef=  8.295411 eV
     lambda(    1)=  0.0000   gamma=    0.46 GHz
     lambda(    2)=  0.0000   gamma=    0.52 GHz
     lambda(    3)=  0.0000   gamma=    0.50 GHz
     Gaussian Broadening:   0.050 Ry, ngauss=   0
     DOS =  2.589582 states/spin/Ry/Unit Cell at Ef=  8.291553 eV
     lambda(    1)=  0.0000   gamma=    0.59 GHz
     lambda(    2)=  0.0000   gamma=    0.66 GHz
     lambda(    3)=  0.0000   gamma=    0.63 GHz


     Number of q in the star =    1
     List of q in the star:
          1   0.000000000   0.000000000   0.000000000

     PHONON       :     1.71s CPU         1.74s WALL

     INITIALIZATION: 
     phq_setup    :      0.00s CPU      0.00s WALL (       1 calls)
     phq_init     :      0.00s CPU      0.00s WALL (       1 calls)

     phq_init     :      0.00s CPU      0.00s WALL (       1 calls)
     init_vloc    :      0.00s CPU      0.00s WALL (       1 calls)
     init_us_1    :      0.00s CPU      0.00s WALL (       1 calls)

     DYNAMICAL MATRIX:
     dynmat0      :      0.00s CPU      0.00s WALL (       1 calls)
     phqscf       :      0.18s CPU      0.20s WALL (       1 calls)
     dynmatrix    :      0.00s CPU      0.00s WALL (       1 calls)

     phqscf       :      0.18s CPU      0.20s WALL (       1 calls)
     solve_linter :      0.18s CPU      0.20s WALL (       1 calls)
     drhodv       :      0.00s CPU      0.00s WALL (       1 calls)

     dynmat0      :      0.00s CPU      0.00s WALL (       1 calls)
     dynmat_us    :      0.00s CPU      0.00s WALL (       1 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (       1 calls)

     dynmat_us    :      0.00s CPU      0.00s WALL (       1 calls)

     phqscf       :      0.18s CPU      0.20s WALL (       1 calls)
     solve_linter :      0.18s CPU      0.20s WALL (       1 calls)

     solve_linter :      0.18s CPU      0.20s WALL (       1 calls)
     dvqpsi_us    :      0.00s CPU      0.02s WALL (      87 calls)
     ortho        :      0.00s CPU      0.00s WALL (     261 calls)
     cgsolve      :      0.08s CPU      0.08s WALL (     261 calls)
     incdrhoscf   :      0.01s CPU      0.01s WALL (     261 calls)
     vpsifft      :      0.01s CPU      0.01s WALL (     174 calls)
     dv_of_drho   :      0.00s CPU      0.00s WALL (       9 calls)
     mix_pot      :      0.00s CPU      0.00s WALL (       3 calls)
     ef_shift     :      0.00s CPU      0.00s WALL (       4 calls)
     localdos     :      0.00s CPU      0.00s WALL (       1 calls)
     psymdvscf    :      0.04s CPU      0.04s WALL (       3 calls)

     dvqpsi_us    :      0.00s CPU      0.02s WALL (      87 calls)
     dvqpsi_us_on :      0.00s CPU      0.00s WALL (      87 calls)

     cgsolve      :      0.08s CPU      0.08s WALL (     261 calls)
     ch_psi       :      0.08s CPU      0.08s WALL (    1372 calls)

     ch_psi       :      0.08s CPU      0.08s WALL (    1372 calls)
     h_psi        :      0.08s CPU      0.06s WALL (    1372 calls)
     last         :      0.00s CPU      0.01s WALL (    1372 calls)

     h_psi        :      0.08s CPU      0.06s WALL (    1372 calls)
     add_vuspsi   :      0.00s CPU      0.00s WALL (    1372 calls)

     incdrhoscf   :      0.01s CPU      0.01s WALL (     261 calls)


      General routines
     calbec       :      0.01s CPU      0.01s WALL (    3411 calls)
     fft          :      0.00s CPU      0.00s WALL (      49 calls)
     ffts         :      0.00s CPU      0.00s WALL (     142 calls)
     fftw         :      0.07s CPU      0.08s WALL (    8186 calls)
     davcio       :      0.00s CPU      0.00s WALL (    1287 calls)
     write_rec    :      0.01s CPU      0.00s WALL (       4 calls)


     PHONON       :     1.71s CPU         1.74s WALL


   This run was terminated on:  14: 2: 2   7Feb2017            

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