
     Program PHONON v.6.5 starts on 21Mar2020 at 18:41:28 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          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     1 processors

     MPI processes distributed on     1 nodes
     Fft bands division:     nmany     =       1


     Dynamical matrices for q-points given in input
     (  10q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2   0.250000000   0.000000000   0.000000000
       3   0.500000000   0.000000000   0.000000000
       4   1.000000000   0.000000000   0.000000000
       5   0.750000000   0.250000000   0.250000000
       6   0.500000000   0.500000000   0.500000000
       7   0.250000000   0.250000000   0.250000000
       8   0.000000000   0.000000000   0.000000000
       9   0.250000000   0.250000000   0.000000000
      10   0.500000000   0.500000000   0.000000000

     Reading xml data from directory:

     ./aluminum.save/
     Message from routine qexsd_readschema :
     input info not found or not readable in xml file

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation= PZ
                           (   1   1   0   0   0   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         121     121     43                  869      869     181
 
     Reading collected, re-writing distributed wavefunctions

     Calculation of q =    0.0000000   0.0000000   0.0000000

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
     49 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    869 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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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       :      0.17s CPU      0.17s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =    -1.6501E-24    -6.2693E-38
     Pert. #  2: Fermi energy shift (Ry) =    -4.3190E-25    -4.3885E-37
     Pert. #  3: Fermi energy shift (Ry) =     1.8849E-25     0.0000E+00

      iter #   1 total cpu time :     0.4 secs   av.it.:   3.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.431E-08
 
     Pert. #  1: Fermi energy shift (Ry) =    -4.0497E-25     7.3468E-40
     Pert. #  2: Fermi energy shift (Ry) =     7.6687E-25    -9.7958E-40
     Pert. #  3: Fermi energy shift (Ry) =    -4.8898E-25     1.2321E-39

      iter #   2 total cpu time :     0.6 secs   av.it.:   5.4
      thresh= 1.196E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.497E-09
 
     Pert. #  1: Fermi energy shift (Ry) =     1.3959E-24    -2.4489E-40
     Pert. #  2: Fermi energy shift (Ry) =    -3.0158E-25    -1.1020E-39
     Pert. #  3: Fermi energy shift (Ry) =    -1.6150E-24    -1.0331E-39

      iter #   3 total cpu time :     0.8 secs   av.it.:   5.0
      thresh= 3.869E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.706E-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) =       0.171313 [THz] =       5.714400 [cm-1]
     freq (    2) =       0.171313 [THz] =       5.714400 [cm-1]
     freq (    3) =       0.171313 [THz] =       5.714400 [cm-1]
 **************************************************************************

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

     freq (  1 -  3) =          5.7  [cm-1]   --> T_1u G_15  G_4- I  
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675809 states/spin/Ry/Unit Cell at Ef=  8.278667 eV
     double delta at Ef =104.058639
     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:   0.040 Ry, ngauss=   0
     DOS =  2.703387 states/spin/Ry/Unit Cell at Ef=  8.200081 eV
     double delta at Ef = 56.350968
     lambda(    1)=  0.0000   gamma=    0.32 GHz
     lambda(    2)=  0.0000   gamma=    0.32 GHz
     lambda(    3)=  0.0000   gamma=    0.32 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781691 states/spin/Ry/Unit Cell at Ef=  8.182007 eV
     double delta at Ef = 42.846273
     lambda(    1)=  0.0000   gamma=    1.23 GHz
     lambda(    2)=  0.0000   gamma=    1.23 GHz
     lambda(    3)=  0.0000   gamma=    1.23 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793236 states/spin/Ry/Unit Cell at Ef=  8.205919 eV
     double delta at Ef = 36.753070
     lambda(    1)=  0.0000   gamma=    2.20 GHz
     lambda(    2)=  0.0000   gamma=    2.20 GHz
     lambda(    3)=  0.0000   gamma=    2.20 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781098 states/spin/Ry/Unit Cell at Ef=  8.232637 eV
     double delta at Ef = 32.865698
     lambda(    1)=  0.0000   gamma=    2.67 GHz
     lambda(    2)=  0.0000   gamma=    2.67 GHz
     lambda(    3)=  0.0000   gamma=    2.67 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753458 states/spin/Ry/Unit Cell at Ef=  8.253288 eV
     double delta at Ef = 29.857717
     lambda(    1)=  0.0000   gamma=    2.80 GHz
     lambda(    2)=  0.0000   gamma=    2.80 GHz
     lambda(    3)=  0.0000   gamma=    2.80 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267116 eV
     double delta at Ef = 27.504731
     lambda(    1)=  0.0000   gamma=    2.87 GHz
     lambda(    2)=  0.0000   gamma=    2.87 GHz
     lambda(    3)=  0.0000   gamma=    2.87 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693265 states/spin/Ry/Unit Cell at Ef=  8.275899 eV
     double delta at Ef = 25.729529
     lambda(    1)=  0.0000   gamma=    2.95 GHz
     lambda(    2)=  0.0000   gamma=    2.95 GHz
     lambda(    3)=  0.0000   gamma=    2.95 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281626 eV
     double delta at Ef = 24.395225
     lambda(    1)=  0.0000   gamma=    3.04 GHz
     lambda(    2)=  0.0000   gamma=    3.04 GHz
     lambda(    3)=  0.0000   gamma=    3.04 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285693 eV
     double delta at Ef = 23.360121
     lambda(    1)=  0.0000   gamma=    3.12 GHz
     lambda(    2)=  0.0000   gamma=    3.12 GHz
     lambda(    3)=  0.0000   gamma=    3.12 GHz

     Calculation of q =    0.2500000   0.0000000   0.0000000

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used

 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     55                  869      869     259
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.51 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_2/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        2.1 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_2/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.0000000   0.0000000 )
 
      8 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :      2.93s CPU      3.05s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     3.3 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.010E-01

      iter #   2 total cpu time :     3.5 secs   av.it.:   5.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.853E+02

      iter #   3 total cpu time :     3.6 secs   av.it.:   5.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.183E-03

      iter #   4 total cpu time :     3.8 secs   av.it.:   2.3
      thresh= 3.439E-03 alpha_mix =  0.700 |ddv_scf|^2 =  1.837E-09

      iter #   5 total cpu time :     4.0 secs   av.it.:   6.0
      thresh= 4.286E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.129E-10

      iter #   6 total cpu time :     4.1 secs   av.it.:   4.6
      thresh= 3.021E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.185E-08

      iter #   7 total cpu time :     4.3 secs   av.it.:   2.2
      thresh= 2.046E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.982E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     4.7 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.277E-08

      iter #   2 total cpu time :     5.1 secs   av.it.:   5.7
      thresh= 2.068E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.544E-09

      iter #   3 total cpu time :     5.4 secs   av.it.:   5.5
      thresh= 5.953E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.872E-11

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    6
     List of q in the star:
          1   0.250000000   0.000000000   0.000000000
          2  -0.250000000   0.000000000   0.000000000
          3   0.000000000   0.000000000  -0.250000000
          4   0.000000000  -0.250000000   0.000000000
          5   0.000000000   0.250000000   0.000000000
          6   0.000000000   0.000000000   0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       2.295452 [THz] =      76.568020 [cm-1]
     freq (    2) =       2.295452 [THz] =      76.568020 [cm-1]
     freq (    3) =       4.006882 [THz] =     133.655203 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =         76.6  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        133.7  [cm-1]   --> A_1  G_1 D_1       
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef = 20.425507
     lambda(    1)=  0.1975   gamma=    2.66 GHz
     lambda(    2)=  0.1975   gamma=    2.66 GHz
     lambda(    3)=  0.0373   gamma=    1.53 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 19.334701
     lambda(    1)=  0.4708   gamma=    6.40 GHz
     lambda(    2)=  0.4708   gamma=    6.40 GHz
     lambda(    3)=  0.2058   gamma=    8.53 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 19.823356
     lambda(    1)=  0.3166   gamma=    4.43 GHz
     lambda(    2)=  0.3166   gamma=    4.43 GHz
     lambda(    3)=  0.3642   gamma=   15.53 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 19.866604
     lambda(    1)=  0.2715   gamma=    3.82 GHz
     lambda(    2)=  0.2715   gamma=    3.82 GHz
     lambda(    3)=  0.4128   gamma=   17.68 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 20.003856
     lambda(    1)=  0.2774   gamma=    3.88 GHz
     lambda(    2)=  0.2774   gamma=    3.88 GHz
     lambda(    3)=  0.4258   gamma=   18.16 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 20.043744
     lambda(    1)=  0.2937   gamma=    4.07 GHz
     lambda(    2)=  0.2937   gamma=    4.07 GHz
     lambda(    3)=  0.4279   gamma=   18.06 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 19.991055
     lambda(    1)=  0.3085   gamma=    4.22 GHz
     lambda(    2)=  0.3085   gamma=    4.22 GHz
     lambda(    3)=  0.4267   gamma=   17.79 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 19.897014
     lambda(    1)=  0.3194   gamma=    4.33 GHz
     lambda(    2)=  0.3194   gamma=    4.33 GHz
     lambda(    3)=  0.4234   gamma=   17.48 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 19.776351
     lambda(    1)=  0.3266   gamma=    4.40 GHz
     lambda(    2)=  0.3266   gamma=    4.40 GHz
     lambda(    3)=  0.4178   gamma=   17.16 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 19.625993
     lambda(    1)=  0.3311   gamma=    4.46 GHz
     lambda(    2)=  0.3311   gamma=    4.46 GHz
     lambda(    3)=  0.4100   gamma=   16.81 GHz

     Calculation of q =    0.5000000   0.0000000   0.0000000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     55                  869      869     259
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_3/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.3

     total cpu time spent up to now is        4.1 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_3/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000   0.0000000 )
 
      8 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   200  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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, C_4v (4mm)  point group:


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      1 modes -A_1  G_1 D_1  To be done

     Representation     2      2 modes -E    G_5 D_5  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :      7.31s CPU      7.66s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :     7.9 secs   av.it.:   3.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  9.527E-03

      iter #   2 total cpu time :     8.0 secs   av.it.:   4.5
      thresh= 9.761E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.274E-01

      iter #   3 total cpu time :     8.2 secs   av.it.:   4.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.443E-08

      iter #   4 total cpu time :     8.4 secs   av.it.:   5.5
      thresh= 2.538E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.166E-09

      iter #   5 total cpu time :     8.6 secs   av.it.:   4.8
      thresh= 5.626E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.156E-10

      iter #   6 total cpu time :     8.7 secs   av.it.:   4.2
      thresh= 1.777E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.171E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :     9.2 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.015E-07

      iter #   2 total cpu time :     9.6 secs   av.it.:   5.9
      thresh= 3.187E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.560E-09

      iter #   3 total cpu time :     9.9 secs   av.it.:   5.4
      thresh= 5.967E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.982E-10

      iter #   4 total cpu time :    10.3 secs   av.it.:   5.3
      thresh= 1.408E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.046E-14

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    6
     List of q in the star:
          1   0.500000000   0.000000000   0.000000000
          2  -0.500000000   0.000000000   0.000000000
          3   0.000000000   0.000000000  -0.500000000
          4   0.000000000  -0.500000000   0.000000000
          5   0.000000000   0.500000000   0.000000000
          6   0.000000000   0.000000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.200411 [THz] =     140.110636 [cm-1]
     freq (    2) =       4.200411 [THz] =     140.110636 [cm-1]
     freq (    3) =       6.475305 [THz] =     215.992926 [cm-1]
 **************************************************************************

     Mode symmetry, C_4v (4mm)  point group:

     freq (  1 -  2) =        140.1  [cm-1]   --> E    G_5 D_5       
     freq (  3 -  3) =        216.0  [cm-1]   --> A_1  G_1 D_1       
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef =  1.280706
     lambda(    1)=  0.0000   gamma=    0.00 GHz
     lambda(    2)=  0.0000   gamma=    0.00 GHz
     lambda(    3)=  0.0604   gamma=    6.47 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef =  7.961468
     lambda(    1)=  0.0343   gamma=    1.56 GHz
     lambda(    2)=  0.0343   gamma=    1.56 GHz
     lambda(    3)=  0.2664   gamma=   28.84 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 13.294748
     lambda(    1)=  0.0982   gamma=    4.60 GHz
     lambda(    2)=  0.0982   gamma=    4.60 GHz
     lambda(    3)=  0.2857   gamma=   31.82 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 15.274766
     lambda(    1)=  0.1288   gamma=    6.06 GHz
     lambda(    2)=  0.1288   gamma=    6.06 GHz
     lambda(    3)=  0.2804   gamma=   31.37 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 16.049476
     lambda(    1)=  0.1456   gamma=    6.82 GHz
     lambda(    2)=  0.1456   gamma=    6.82 GHz
     lambda(    3)=  0.2754   gamma=   30.66 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 16.311098
     lambda(    1)=  0.1546   gamma=    7.17 GHz
     lambda(    2)=  0.1546   gamma=    7.17 GHz
     lambda(    3)=  0.2715   gamma=   29.93 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 16.374728
     lambda(    1)=  0.1593   gamma=    7.30 GHz
     lambda(    2)=  0.1593   gamma=    7.30 GHz
     lambda(    3)=  0.2707   gamma=   29.48 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 16.366754
     lambda(    1)=  0.1615   gamma=    7.33 GHz
     lambda(    2)=  0.1615   gamma=    7.33 GHz
     lambda(    3)=  0.2718   gamma=   29.31 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 16.332596
     lambda(    1)=  0.1623   gamma=    7.32 GHz
     lambda(    2)=  0.1623   gamma=    7.32 GHz
     lambda(    3)=  0.2731   gamma=   29.29 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 16.288343
     lambda(    1)=  0.1623   gamma=    7.31 GHz
     lambda(    2)=  0.1623   gamma=    7.31 GHz
     lambda(    3)=  0.2738   gamma=   29.31 GHz

     Calculation of q =    1.0000000   0.0000000   0.0000000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     61                  869      869     331
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_4/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.1

     total cpu time spent up to now is        5.2 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_4/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.0000000   0.0000000 )
 
     17 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   118  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      2 modes -  To be done

     Representation     2      1 modes -  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     11.09s CPU     11.68s WALL



     Representation #  1 modes #   1  2

     Self-consistent Calculation

      iter #   1 total cpu time :    11.9 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.159E-07

      iter #   2 total cpu time :    12.1 secs   av.it.:   5.8
      thresh= 5.620E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.457E-09

      iter #   3 total cpu time :    12.3 secs   av.it.:   5.5
      thresh= 6.676E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.210E-10

      iter #   4 total cpu time :    12.5 secs   av.it.:   5.3
      thresh= 2.052E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.870E-14

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    12.8 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.930E-05

      iter #   2 total cpu time :    12.9 secs   av.it.:   5.1
      thresh= 8.324E-04 alpha_mix =  0.700 |ddv_scf|^2 =  2.668E-05

      iter #   3 total cpu time :    13.0 secs   av.it.:   4.9
      thresh= 5.165E-04 alpha_mix =  0.700 |ddv_scf|^2 =  5.195E-09

      iter #   4 total cpu time :    13.1 secs   av.it.:   5.0
      thresh= 7.207E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.885E-11

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    3
     List of q in the star:
          1   1.000000000   0.000000000   0.000000000
          2   0.000000000   0.000000000   1.000000000
          3   0.000000000   1.000000000   0.000000000

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.062766 [THz] =     202.232094 [cm-1]
     freq (    2) =       6.062766 [THz] =     202.232094 [cm-1]
     freq (    3) =       9.881199 [THz] =     329.601337 [cm-1]
 **************************************************************************
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef = 34.425003
     lambda(    1)=  0.3803   gamma=   35.72 GHz
     lambda(    2)=  0.3803   gamma=   35.72 GHz
     lambda(    3)=  0.0608   gamma=   15.17 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 18.410086
     lambda(    1)=  0.1771   gamma=   16.81 GHz
     lambda(    2)=  0.1771   gamma=   16.81 GHz
     lambda(    3)=  0.2112   gamma=   53.23 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 14.910232
     lambda(    1)=  0.1471   gamma=   14.36 GHz
     lambda(    2)=  0.1471   gamma=   14.36 GHz
     lambda(    3)=  0.1428   gamma=   37.03 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 13.194919
     lambda(    1)=  0.1253   gamma=   12.28 GHz
     lambda(    2)=  0.1253   gamma=   12.28 GHz
     lambda(    3)=  0.1245   gamma=   32.43 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 12.449424
     lambda(    1)=  0.1112   gamma=   10.86 GHz
     lambda(    2)=  0.1112   gamma=   10.86 GHz
     lambda(    3)=  0.1311   gamma=   34.00 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 12.239855
     lambda(    1)=  0.1045   gamma=   10.10 GHz
     lambda(    2)=  0.1045   gamma=   10.10 GHz
     lambda(    3)=  0.1424   gamma=   36.56 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 12.291335
     lambda(    1)=  0.1025   gamma=    9.79 GHz
     lambda(    2)=  0.1025   gamma=    9.79 GHz
     lambda(    3)=  0.1526   gamma=   38.69 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 12.455519
     lambda(    1)=  0.1027   gamma=    9.71 GHz
     lambda(    2)=  0.1027   gamma=    9.71 GHz
     lambda(    3)=  0.1602   gamma=   40.24 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 12.650123
     lambda(    1)=  0.1034   gamma=    9.72 GHz
     lambda(    2)=  0.1034   gamma=    9.72 GHz
     lambda(    3)=  0.1656   gamma=   41.35 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 12.838575
     lambda(    1)=  0.1041   gamma=    9.78 GHz
     lambda(    2)=  0.1041   gamma=    9.78 GHz
     lambda(    3)=  0.1691   gamma=   42.15 GHz

     Calculation of q =    0.7500000   0.2500000   0.2500000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     61                  869      869     331
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   576  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_5/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.5

     total cpu time spent up to now is       10.8 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_5/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.2500000   0.2500000 )
 
      2 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   576  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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, 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 =   0.7000
     PHONON       :     18.00s CPU     18.90s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    19.5 secs   av.it.:   3.8
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.088E-05

      iter #   2 total cpu time :    20.0 secs   av.it.:   5.7
      thresh= 3.298E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.139E-06

      iter #   3 total cpu time :    20.5 secs   av.it.:   5.4
      thresh= 2.035E-04 alpha_mix =  0.700 |ddv_scf|^2 =  4.193E-07

      iter #   4 total cpu time :    21.0 secs   av.it.:   5.1
      thresh= 6.476E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.136E-09

      iter #   5 total cpu time :    21.5 secs   av.it.:   5.6
      thresh= 5.600E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.344E-10

      iter #   6 total cpu time :    22.1 secs   av.it.:   5.5
      thresh= 1.159E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.098E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    23.0 secs   av.it.:   4.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.041E-04

      iter #   2 total cpu time :    23.5 secs   av.it.:   5.4
      thresh= 1.428E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.004E-04

      iter #   3 total cpu time :    24.0 secs   av.it.:   4.7
      thresh= 1.733E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.042E-07

      iter #   4 total cpu time :    24.6 secs   av.it.:   5.5
      thresh= 4.518E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.751E-09

      iter #   5 total cpu time :    25.1 secs   av.it.:   5.5
      thresh= 5.245E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.432E-10

      iter #   6 total cpu time :    25.6 secs   av.it.:   5.5
      thresh= 1.197E-06 alpha_mix =  0.700 |ddv_scf|^2 =  4.526E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    26.5 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.549E-07

      iter #   2 total cpu time :    27.1 secs   av.it.:   5.4
      thresh= 7.449E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.395E-08

      iter #   3 total cpu time :    27.5 secs   av.it.:   4.8
      thresh= 1.181E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.064E-09

      iter #   4 total cpu time :    28.0 secs   av.it.:   4.9
      thresh= 3.262E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.533E-14

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =   24
     List of q in the star:
          1   0.750000000   0.250000000   0.250000000
          2   0.750000000   0.250000000  -0.250000000
          3   0.750000000  -0.250000000   0.250000000
          4   0.750000000  -0.250000000  -0.250000000
          5  -0.750000000  -0.250000000  -0.250000000
          6  -0.750000000   0.250000000   0.250000000
          7  -0.750000000  -0.250000000   0.250000000
          8  -0.750000000   0.250000000  -0.250000000
          9   0.250000000   0.250000000   0.750000000
         10  -0.250000000   0.250000000  -0.750000000
         11   0.250000000  -0.250000000  -0.750000000
         12  -0.250000000  -0.250000000   0.750000000
         13   0.250000000   0.750000000   0.250000000
         14   0.250000000  -0.750000000  -0.250000000
         15  -0.250000000  -0.750000000   0.250000000
         16  -0.250000000   0.750000000  -0.250000000
         17   0.250000000  -0.250000000   0.750000000
         18  -0.250000000  -0.750000000  -0.250000000
         19  -0.250000000  -0.250000000  -0.750000000
         20   0.250000000  -0.750000000   0.250000000
         21  -0.250000000   0.750000000   0.250000000
         22   0.250000000   0.250000000  -0.750000000
         23  -0.250000000   0.250000000   0.750000000
         24   0.250000000   0.750000000  -0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.750000000   0.250000000   0.250000000 ) 

 **************************************************************************
     freq (    1) =       5.392360 [THz] =     179.869757 [cm-1]
     freq (    2) =       6.716390 [THz] =     224.034650 [cm-1]
     freq (    3) =       8.785621 [THz] =     293.056788 [cm-1]
 **************************************************************************

     Mode symmetry, C_s (m)     point group:

     freq (  1 -  1) =        179.9  [cm-1]   --> A''                
     freq (  2 -  2) =        224.0  [cm-1]   --> A'                 
     freq (  3 -  3) =        293.1  [cm-1]   --> A'                 
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef = 16.984783
     lambda(    1)=  0.1107   gamma=    8.22 GHz
     lambda(    2)=  0.1601   gamma=   18.46 GHz
     lambda(    3)=  0.3820   gamma=   75.34 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 12.925455
     lambda(    1)=  0.0786   gamma=    5.90 GHz
     lambda(    2)=  0.1035   gamma=   12.05 GHz
     lambda(    3)=  0.2317   gamma=   46.18 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 14.131085
     lambda(    1)=  0.0871   gamma=    6.73 GHz
     lambda(    2)=  0.1095   gamma=   13.12 GHz
     lambda(    3)=  0.2362   gamma=   48.43 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 14.167432
     lambda(    1)=  0.0875   gamma=    6.79 GHz
     lambda(    2)=  0.1060   gamma=   12.75 GHz
     lambda(    3)=  0.2233   gamma=   45.98 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 13.955867
     lambda(    1)=  0.0868   gamma=    6.70 GHz
     lambda(    2)=  0.1034   gamma=   12.39 GHz
     lambda(    3)=  0.2093   gamma=   42.91 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 13.769271
     lambda(    1)=  0.0868   gamma=    6.64 GHz
     lambda(    2)=  0.1034   gamma=   12.26 GHz
     lambda(    3)=  0.2013   gamma=   40.86 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 13.674406
     lambda(    1)=  0.0876   gamma=    6.62 GHz
     lambda(    2)=  0.1050   gamma=   12.30 GHz
     lambda(    3)=  0.1983   gamma=   39.75 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 13.661793
     lambda(    1)=  0.0888   gamma=    6.64 GHz
     lambda(    2)=  0.1070   gamma=   12.42 GHz
     lambda(    3)=  0.1974   gamma=   39.18 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 13.697478
     lambda(    1)=  0.0899   gamma=    6.69 GHz
     lambda(    2)=  0.1089   gamma=   12.57 GHz
     lambda(    3)=  0.1967   gamma=   38.84 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 13.753491
     lambda(    1)=  0.0909   gamma=    6.75 GHz
     lambda(    2)=  0.1104   gamma=   12.72 GHz
     lambda(    3)=  0.1958   gamma=   38.59 GHz

     Calculation of q =    0.5000000   0.5000000   0.5000000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     61                  869      869     307
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   130  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_6/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.8

     total cpu time spent up to now is       12.2 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_6/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.5000000   0.5000000 )
 
     13 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   130  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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


     Atomic displacements:
     There are   2 irreducible representations

     Representation     1      2 modes -  To be done

     Representation     2      1 modes -  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     28.23s CPU     29.76s WALL



     Representation #  1 modes #   1  2

     Self-consistent Calculation

      iter #   1 total cpu time :    30.0 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  4.102E-08

      iter #   2 total cpu time :    30.2 secs   av.it.:   5.9
      thresh= 2.025E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.605E-09

      iter #   3 total cpu time :    30.5 secs   av.it.:   5.6
      thresh= 6.004E-06 alpha_mix =  0.700 |ddv_scf|^2 =  2.029E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    30.7 secs   av.it.:   4.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.724E-04

      iter #   2 total cpu time :    30.9 secs   av.it.:   5.5
      thresh= 1.650E-03 alpha_mix =  0.700 |ddv_scf|^2 =  3.200E-04

      iter #   3 total cpu time :    31.0 secs   av.it.:   4.9
      thresh= 1.789E-03 alpha_mix =  0.700 |ddv_scf|^2 =  7.196E-09

      iter #   4 total cpu time :    31.1 secs   av.it.:   5.5
      thresh= 8.483E-06 alpha_mix =  0.700 |ddv_scf|^2 =  3.354E-10

      iter #   5 total cpu time :    31.2 secs   av.it.:   5.1
      thresh= 1.831E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.888E-14

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    4
     List of q in the star:
          1   0.500000000   0.500000000   0.500000000
          2  -0.500000000   0.500000000  -0.500000000
          3  -0.500000000   0.500000000   0.500000000
          4  -0.500000000  -0.500000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.500000000   0.500000000 ) 

 **************************************************************************
     freq (    1) =       4.438910 [THz] =     148.066107 [cm-1]
     freq (    2) =       4.438910 [THz] =     148.066107 [cm-1]
     freq (    3) =       9.422633 [THz] =     314.305204 [cm-1]
 **************************************************************************
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef =  1.718168
     lambda(    1)=  0.0073   gamma=    0.37 GHz
     lambda(    2)=  0.0073   gamma=    0.37 GHz
     lambda(    3)=  0.0310   gamma=    7.03 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 10.177916
     lambda(    1)=  0.0534   gamma=    2.72 GHz
     lambda(    2)=  0.0534   gamma=    2.72 GHz
     lambda(    3)=  0.1394   gamma=   31.95 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 14.089272
     lambda(    1)=  0.0798   gamma=    4.18 GHz
     lambda(    2)=  0.0798   gamma=    4.18 GHz
     lambda(    3)=  0.1486   gamma=   35.05 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 14.850423
     lambda(    1)=  0.0809   gamma=    4.25 GHz
     lambda(    2)=  0.0809   gamma=    4.25 GHz
     lambda(    3)=  0.1601   gamma=   37.91 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 14.792267
     lambda(    1)=  0.0778   gamma=    4.07 GHz
     lambda(    2)=  0.0778   gamma=    4.07 GHz
     lambda(    3)=  0.1701   gamma=   40.11 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 14.545807
     lambda(    1)=  0.0757   gamma=    3.92 GHz
     lambda(    2)=  0.0757   gamma=    3.92 GHz
     lambda(    3)=  0.1788   gamma=   41.74 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 14.356743
     lambda(    1)=  0.0747   gamma=    3.82 GHz
     lambda(    2)=  0.0747   gamma=    3.82 GHz
     lambda(    3)=  0.1878   gamma=   43.30 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 14.259440
     lambda(    1)=  0.0742   gamma=    3.76 GHz
     lambda(    2)=  0.0742   gamma=    3.76 GHz
     lambda(    3)=  0.1958   gamma=   44.72 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 14.224739
     lambda(    1)=  0.0738   gamma=    3.72 GHz
     lambda(    2)=  0.0738   gamma=    3.72 GHz
     lambda(    3)=  0.2018   gamma=   45.84 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 14.224196
     lambda(    1)=  0.0735   gamma=    3.70 GHz
     lambda(    2)=  0.0735   gamma=    3.70 GHz
     lambda(    3)=  0.2058   gamma=   46.65 GHz

     Calculation of q =    0.2500000   0.2500000   0.2500000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     55                  869      869     259
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_7/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.8

     total cpu time spent up to now is       14.6 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_7/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000   0.2500000 )
 
      6 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   240  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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, 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 =   0.7000
     PHONON       :     32.03s CPU     33.77s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    34.0 secs   av.it.:   4.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.383E-02

      iter #   2 total cpu time :    34.2 secs   av.it.:   4.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.036E+00

      iter #   3 total cpu time :    34.4 secs   av.it.:   4.7
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.855E-07

      iter #   4 total cpu time :    34.6 secs   av.it.:   5.2
      thresh= 7.652E-05 alpha_mix =  0.700 |ddv_scf|^2 =  4.580E-09

      iter #   5 total cpu time :    34.8 secs   av.it.:   5.4
      thresh= 6.768E-06 alpha_mix =  0.700 |ddv_scf|^2 =  6.324E-08

      iter #   6 total cpu time :    35.0 secs   av.it.:   3.4
      thresh= 2.515E-05 alpha_mix =  0.700 |ddv_scf|^2 =  7.435E-10

      iter #   7 total cpu time :    35.2 secs   av.it.:   4.8
      thresh= 2.727E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.100E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 modes #   2  3

     Self-consistent Calculation

      iter #   1 total cpu time :    35.8 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.732E-08

      iter #   2 total cpu time :    36.2 secs   av.it.:   5.9
      thresh= 1.932E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.496E-09

      iter #   3 total cpu time :    36.6 secs   av.it.:   5.7
      thresh= 5.913E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.153E-11

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =    8
     List of q in the star:
          1   0.250000000   0.250000000   0.250000000
          2  -0.250000000  -0.250000000  -0.250000000
          3  -0.250000000   0.250000000  -0.250000000
          4  -0.250000000   0.250000000   0.250000000
          5  -0.250000000  -0.250000000   0.250000000
          6   0.250000000  -0.250000000   0.250000000
          7   0.250000000  -0.250000000  -0.250000000
          8   0.250000000   0.250000000  -0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.250000000   0.250000000 ) 

 **************************************************************************
     freq (    1) =       3.512884 [THz] =     117.177204 [cm-1]
     freq (    2) =       3.512884 [THz] =     117.177204 [cm-1]
     freq (    3) =       6.337625 [THz] =     211.400403 [cm-1]
 **************************************************************************

     Mode symmetry, C_3v (3m)   point group:

     freq (  1 -  2) =        117.2  [cm-1]   --> E    L_3           
     freq (  3 -  3) =        211.4  [cm-1]   --> A_1  L_1           
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef = 26.430867
     lambda(    1)=  0.0459   gamma=    1.45 GHz
     lambda(    2)=  0.0459   gamma=    1.45 GHz
     lambda(    3)=  0.3442   gamma=   35.32 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 21.429882
     lambda(    1)=  0.0698   gamma=    2.22 GHz
     lambda(    2)=  0.0698   gamma=    2.22 GHz
     lambda(    3)=  0.3560   gamma=   36.91 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 20.494460
     lambda(    1)=  0.0728   gamma=    2.39 GHz
     lambda(    2)=  0.0728   gamma=    2.39 GHz
     lambda(    3)=  0.3385   gamma=   36.12 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 19.158893
     lambda(    1)=  0.0720   gamma=    2.37 GHz
     lambda(    2)=  0.0720   gamma=    2.37 GHz
     lambda(    3)=  0.3200   gamma=   34.29 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 18.018277
     lambda(    1)=  0.0726   gamma=    2.38 GHz
     lambda(    2)=  0.0726   gamma=    2.38 GHz
     lambda(    3)=  0.3070   gamma=   32.75 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 17.200343
     lambda(    1)=  0.0744   gamma=    2.42 GHz
     lambda(    2)=  0.0744   gamma=    2.42 GHz
     lambda(    3)=  0.2987   gamma=   31.55 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 16.721708
     lambda(    1)=  0.0772   gamma=    2.48 GHz
     lambda(    2)=  0.0772   gamma=    2.48 GHz
     lambda(    3)=  0.2951   gamma=   30.79 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 16.504692
     lambda(    1)=  0.0806   gamma=    2.56 GHz
     lambda(    2)=  0.0806   gamma=    2.56 GHz
     lambda(    3)=  0.2944   gamma=   30.41 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 16.445757
     lambda(    1)=  0.0840   gamma=    2.65 GHz
     lambda(    2)=  0.0840   gamma=    2.65 GHz
     lambda(    3)=  0.2947   gamma=   30.28 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 16.461924
     lambda(    1)=  0.0873   gamma=    2.75 GHz
     lambda(    2)=  0.0873   gamma=    2.75 GHz
     lambda(    3)=  0.2950   gamma=   30.26 GHz

     Calculation of q =    0.0000000   0.0000000   0.0000000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     43                  869      869     181
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=    29  Marzari-Vanderbilt smearing, width (Ry)=  0.0500
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0039062
        k(    2) = (  -0.1250000   0.1250000  -0.1250000), wk =   0.0312500
        k(    3) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0312500
        k(    4) = (  -0.3750000   0.3750000  -0.3750000), wk =   0.0312500
        k(    5) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0156250
        k(    6) = (   0.0000000   0.2500000   0.0000000), wk =   0.0234375
        k(    7) = (  -0.1250000   0.3750000  -0.1250000), wk =   0.0937500
        k(    8) = (  -0.2500000   0.5000000  -0.2500000), wk =   0.0937500
        k(    9) = (   0.6250000  -0.3750000   0.6250000), wk =   0.0937500
        k(   10) = (   0.5000000  -0.2500000   0.5000000), wk =   0.0937500
        k(   11) = (   0.3750000  -0.1250000   0.3750000), wk =   0.0937500
        k(   12) = (   0.2500000   0.0000000   0.2500000), wk =   0.0468750
        k(   13) = (   0.0000000   0.5000000   0.0000000), wk =   0.0234375
        k(   14) = (  -0.1250000   0.6250000  -0.1250000), wk =   0.0937500
        k(   15) = (   0.7500000  -0.2500000   0.7500000), wk =   0.0937500
        k(   16) = (   0.6250000  -0.1250000   0.6250000), wk =   0.0937500
        k(   17) = (   0.5000000   0.0000000   0.5000000), wk =   0.0468750
        k(   18) = (   0.0000000   0.7500000   0.0000000), wk =   0.0234375
        k(   19) = (   0.8750000  -0.1250000   0.8750000), wk =   0.0937500
        k(   20) = (   0.7500000   0.0000000   0.7500000), wk =   0.0468750
        k(   21) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0117188
        k(   22) = (  -0.2500000   0.5000000   0.0000000), wk =   0.0937500
        k(   23) = (   0.6250000  -0.3750000   0.8750000), wk =   0.1875000
        k(   24) = (   0.5000000  -0.2500000   0.7500000), wk =   0.0937500
        k(   25) = (   0.7500000  -0.2500000   1.0000000), wk =   0.0937500
        k(   26) = (   0.6250000  -0.1250000   0.8750000), wk =   0.1875000
        k(   27) = (   0.5000000   0.0000000   0.7500000), wk =   0.0937500
        k(   28) = (  -0.2500000  -1.0000000   0.0000000), wk =   0.0468750
        k(   29) = (  -0.5000000  -1.0000000   0.0000000), wk =   0.0234375

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.51 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_8/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is       14.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   113 PWs)   bands (ev):

    -3.1905  21.1791  21.1791  21.1791  22.5559  22.5559

          k =-0.1250 0.1250-0.1250 (   107 PWs)   bands (ev):

    -2.7432  16.7424  20.1788  20.1788  23.2673  24.1714

          k =-0.2500 0.2500-0.2500 (   104 PWs)   bands (ev):

    -1.4192  11.7921  19.3971  19.3971  22.9597  23.3426

          k =-0.3750 0.3750-0.3750 (    99 PWs)   bands (ev):

     0.7472   7.4148  19.3063  19.3063  21.3010  21.3010

          k = 0.5000-0.5000 0.5000 (   108 PWs)   bands (ev):

     3.5959   3.8201  19.8997  19.8997  19.9675  19.9675

          k = 0.0000 0.2500 0.0000 (   109 PWs)   bands (ev):

    -2.5963  18.3809  18.3809  18.5807  21.4899  23.2598

          k =-0.1250 0.3750-0.1250 (   105 PWs)   bands (ev):

    -1.5646  13.6745  17.3092  18.8466  20.1249  22.7024

          k =-0.2500 0.5000-0.2500 (   100 PWs)   bands (ev):

     0.3184   9.1428  16.9626  17.6720  18.7359  24.8907

          k = 0.6250-0.3750 0.6250 (   103 PWs)   bands (ev):

     3.0030   5.2356  16.0319  17.3393  19.1716  23.3119

          k = 0.5000-0.2500 0.5000 (   103 PWs)   bands (ev):

     2.0232   6.4566  15.1468  18.4483  20.3702  22.4444

          k = 0.3750-0.1250 0.3750 (   100 PWs)   bands (ev):

    -0.4008  10.5631  15.0570  20.2786  22.2917  22.3016

          k = 0.2500 0.0000 0.2500 (   109 PWs)   bands (ev):

    -2.0061  14.8067  16.1745  22.3349  22.5311  23.9983

          k = 0.0000 0.5000 0.0000 (   101 PWs)   bands (ev):

    -0.8352  15.7883  15.9791  15.9791  16.6948  19.6305

          k =-0.1250 0.6250-0.1250 (   102 PWs)   bands (ev):

     0.7484  11.5552  13.9819  15.3797  16.8431  20.9945

          k = 0.7500-0.2500 0.7500 (   104 PWs)   bands (ev):

     3.1397   7.5222  12.0332  15.5077  17.2170  24.6967

          k = 0.6250-0.1250 0.6250 (   101 PWs)   bands (ev):

     4.1106   6.2837  10.9030  16.3666  18.2368  26.3744

          k = 0.5000 0.0000 0.5000 (    97 PWs)   bands (ev):

     1.4600   9.5229  11.1704  17.9584  19.9899  25.7819

          k = 0.0000 0.7500 0.0000 (   104 PWs)   bands (ev):

     2.0191  10.9279  14.0595  14.5356  14.5356  18.2072

          k = 0.8750-0.1250 0.8750 (   104 PWs)   bands (ev):

     4.0824   8.6644  10.5465  14.4188  15.7415  20.0602

          k = 0.7500 0.0000 0.7500 (   102 PWs)   bands (ev):

     6.3730   6.8679   7.9529  15.0260  16.6758  24.2856

          k = 0.0000-1.0000 0.0000 (   108 PWs)   bands (ev):

     5.3322   6.6439  13.4761  14.0562  14.0562  17.6954

          k =-0.2500 0.5000 0.0000 (   104 PWs)   bands (ev):

    -0.2570  12.1642  13.7101  17.2559  20.6545  22.4777

          k = 0.6250-0.3750 0.8750 (   103 PWs)   bands (ev):

     1.8823   8.4268  12.9754  15.1041  21.3116  23.4584

          k = 0.5000-0.2500 0.7500 (   102 PWs)   bands (ev):

     4.6528   4.9627  13.3015  13.9658  21.8092  22.3648

          k = 0.7500-0.2500 1.0000 (   102 PWs)   bands (ev):

     2.5825  10.5748  11.2912  12.4298  19.1119  21.2514

          k = 0.6250-0.1250 0.8750 (   104 PWs)   bands (ev):

     5.1677   7.3413   9.7861  12.0722  20.3586  24.5659

          k = 0.5000 0.0000 0.7500 (   108 PWs)   bands (ev):

     4.2439   7.9410   9.5098  13.1695  21.6037  24.9640

          k =-0.2500-1.0000 0.0000 (   104 PWs)   bands (ev):

     5.8512   7.2029  10.0444  11.7573  18.5864  20.8033

          k =-0.5000-1.0000 0.0000 (   108 PWs)   bands (ev):

     7.4162   7.4162   8.3730   9.6362  24.4638  24.4638

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_8/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
     49 Sym.Ops. (with q -> -q+G )


     G cutoff =   85.4897  (    869 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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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       :     35.29s CPU     37.21s WALL



     Representation #  1 modes #   1  2  3

     Self-consistent Calculation
 
     Pert. #  1: Fermi energy shift (Ry) =     1.1374E-24    -6.8962E-37
     Pert. #  2: Fermi energy shift (Ry) =     6.1392E-25     1.7241E-37
     Pert. #  3: Fermi energy shift (Ry) =     7.1517E-25    -1.8808E-37

      iter #   1 total cpu time :    37.4 secs   av.it.:   3.3
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.431E-08
 
     Pert. #  1: Fermi energy shift (Ry) =     2.7573E-25     0.0000E+00
     Pert. #  2: Fermi energy shift (Ry) =    -7.3671E-25    -1.0408E-39
     Pert. #  3: Fermi energy shift (Ry) =    -1.5337E-24     1.7143E-39

      iter #   2 total cpu time :    37.5 secs   av.it.:   5.5
      thresh= 1.196E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.497E-09
 
     Pert. #  1: Fermi energy shift (Ry) =    -4.8252E-25     9.7958E-40
     Pert. #  2: Fermi energy shift (Ry) =     5.2345E-25     4.6836E-39
     Pert. #  3: Fermi energy shift (Ry) =    -1.0512E-24     3.6734E-40

      iter #   3 total cpu time :    37.7 secs   av.it.:   5.3
      thresh= 3.869E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.764E-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) =       0.172822 [THz] =       5.764724 [cm-1]
     freq (    2) =       0.172822 [THz] =       5.764724 [cm-1]
     freq (    3) =       0.172822 [THz] =       5.764724 [cm-1]
 **************************************************************************

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

     freq (  1 -  3) =          5.8  [cm-1]   --> T_1u G_15  G_4- I  
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef =104.058472
     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:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 56.351825
     lambda(    1)=  0.0000   gamma=    0.32 GHz
     lambda(    2)=  0.0000   gamma=    0.32 GHz
     lambda(    3)=  0.0000   gamma=    0.32 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 42.846628
     lambda(    1)=  0.0000   gamma=    1.23 GHz
     lambda(    2)=  0.0000   gamma=    1.23 GHz
     lambda(    3)=  0.0000   gamma=    1.23 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 36.753205
     lambda(    1)=  0.0000   gamma=    2.20 GHz
     lambda(    2)=  0.0000   gamma=    2.20 GHz
     lambda(    3)=  0.0000   gamma=    2.20 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 32.865749
     lambda(    1)=  0.0000   gamma=    2.67 GHz
     lambda(    2)=  0.0000   gamma=    2.67 GHz
     lambda(    3)=  0.0000   gamma=    2.67 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 29.857732
     lambda(    1)=  0.0000   gamma=    2.80 GHz
     lambda(    2)=  0.0000   gamma=    2.80 GHz
     lambda(    3)=  0.0000   gamma=    2.80 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 27.504730
     lambda(    1)=  0.0000   gamma=    2.87 GHz
     lambda(    2)=  0.0000   gamma=    2.87 GHz
     lambda(    3)=  0.0000   gamma=    2.87 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 25.729520
     lambda(    1)=  0.0000   gamma=    2.95 GHz
     lambda(    2)=  0.0000   gamma=    2.95 GHz
     lambda(    3)=  0.0000   gamma=    2.95 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 24.395210
     lambda(    1)=  0.0000   gamma=    3.04 GHz
     lambda(    2)=  0.0000   gamma=    3.04 GHz
     lambda(    3)=  0.0000   gamma=    3.04 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 23.360102
     lambda(    1)=  0.0000   gamma=    3.12 GHz
     lambda(    2)=  0.0000   gamma=    3.12 GHz
     lambda(    3)=  0.0000   gamma=    3.12 GHz

     Calculation of q =    0.2500000   0.2500000   0.0000000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     55                  869      869     259
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_9/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.4

     total cpu time spent up to now is       18.1 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_9/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000   0.0000000 )
 
      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     38.98s CPU     41.08s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    41.4 secs   av.it.:   4.1
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  7.346E-02

      iter #   2 total cpu time :    41.7 secs   av.it.:   5.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.383E+00

      iter #   3 total cpu time :    42.0 secs   av.it.:   4.9
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.067E-06

      iter #   4 total cpu time :    42.2 secs   av.it.:   4.1
      thresh= 2.463E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.078E-09

      iter #   5 total cpu time :    42.5 secs   av.it.:   5.1
      thresh= 5.548E-06 alpha_mix =  0.700 |ddv_scf|^2 =  9.728E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    43.0 secs   av.it.:   3.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  1.282E-07

      iter #   2 total cpu time :    43.3 secs   av.it.:   4.8
      thresh= 3.580E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.350E-08

      iter #   3 total cpu time :    43.6 secs   av.it.:   4.6
      thresh= 1.162E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.525E-12

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    44.1 secs   av.it.:   3.4
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  3.693E-07

      iter #   2 total cpu time :    44.4 secs   av.it.:   5.4
      thresh= 6.077E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.376E-08

      iter #   3 total cpu time :    44.7 secs   av.it.:   4.8
      thresh= 1.173E-05 alpha_mix =  0.700 |ddv_scf|^2 =  8.428E-10

      iter #   4 total cpu time :    45.0 secs   av.it.:   4.8
      thresh= 2.903E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.180E-13

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =   12
     List of q in the star:
          1   0.250000000   0.250000000   0.000000000
          2   0.000000000   0.250000000   0.250000000
          3  -0.250000000   0.000000000  -0.250000000
          4  -0.250000000  -0.250000000   0.000000000
          5   0.000000000  -0.250000000  -0.250000000
          6  -0.250000000   0.000000000   0.250000000
          7  -0.250000000   0.250000000   0.000000000
          8   0.250000000  -0.250000000   0.000000000
          9   0.250000000   0.000000000  -0.250000000
         10   0.000000000  -0.250000000   0.250000000
         11   0.000000000   0.250000000  -0.250000000
         12   0.250000000   0.000000000   0.250000000

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.250000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       3.022844 [THz] =     100.831222 [cm-1]
     freq (    2) =       3.330076 [THz] =     111.079393 [cm-1]
     freq (    3) =       5.522148 [THz] =     184.199029 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        100.8  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        111.1  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        184.2  [cm-1]   --> A_1  D_1  S_1      
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef = 20.055744
     lambda(    1)=  0.0284   gamma=    0.66 GHz
     lambda(    2)=  0.0596   gamma=    1.69 GHz
     lambda(    3)=  0.9457   gamma=   73.68 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 18.372730
     lambda(    1)=  0.0579   gamma=    1.37 GHz
     lambda(    2)=  0.1093   gamma=    3.13 GHz
     lambda(    3)=  0.5440   gamma=   42.82 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 18.934984
     lambda(    1)=  0.0609   gamma=    1.48 GHz
     lambda(    2)=  0.1558   gamma=    4.59 GHz
     lambda(    3)=  0.4182   gamma=   33.87 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 18.371978
     lambda(    1)=  0.0629   gamma=    1.53 GHz
     lambda(    2)=  0.1776   gamma=    5.25 GHz
     lambda(    3)=  0.3656   gamma=   29.74 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 18.036860
     lambda(    1)=  0.0658   gamma=    1.60 GHz
     lambda(    2)=  0.1891   gamma=    5.57 GHz
     lambda(    3)=  0.3492   gamma=   28.28 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 17.830958
     lambda(    1)=  0.0688   gamma=    1.65 GHz
     lambda(    2)=  0.1959   gamma=    5.71 GHz
     lambda(    3)=  0.3460   gamma=   27.74 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 17.718582
     lambda(    1)=  0.0719   gamma=    1.71 GHz
     lambda(    2)=  0.2011   gamma=    5.79 GHz
     lambda(    3)=  0.3477   gamma=   27.53 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 17.683107
     lambda(    1)=  0.0753   gamma=    1.77 GHz
     lambda(    2)=  0.2052   gamma=    5.85 GHz
     lambda(    3)=  0.3504   gamma=   27.48 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 17.686639
     lambda(    1)=  0.0785   gamma=    1.84 GHz
     lambda(    2)=  0.2080   gamma=    5.90 GHz
     lambda(    3)=  0.3520   gamma=   27.46 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 17.692563
     lambda(    1)=  0.0815   gamma=    1.90 GHz
     lambda(    2)=  0.2097   gamma=    5.94 GHz
     lambda(    3)=  0.3518   gamma=   27.39 GHz

     Calculation of q =    0.5000000   0.5000000   0.0000000
 
     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         121     121     61                  869      869     307
 

     Title: 
     Electron-phonon coefficients for Al                                        


     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
     number of electrons       =         3.00
     number of Kohn-Sham states=            6
     kinetic-energy cutoff     =      15.0000  Ry
     charge density cutoff     =      60.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   7.500000  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:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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

     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) = (  -0.1666667   0.3333333   0.5000000  )

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

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

     Dense  grid:      869 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.52 MB

     The potential is recalculated from file :
     ./_ph0/aluminum.q_10/aluminum.save/charge-density

     Starting wfcs are    4 atomic +    2 random wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  3.33E-10,  avg # of iterations = 13.6

     total cpu time spent up to now is       21.4 secs

     End of band structure calculation

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

     the Fermi energy is     8.1776 ev

     Writing output data file ./_ph0/aluminum.q_10/aluminum.save/

     Electron-phonon coefficients for Al                                        

     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= PZ
                           (   1   1   0   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) = (   -0.16667    0.33333    0.50000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.5000000   0.0000000 )
 
      4 Sym.Ops. (no q -> -q+G )


     G cutoff =   85.4897  (    869 G-vectors)     FFT grid: ( 15, 15, 15)

     number of k points=   328  Marzari-Vanderbilt smearing, width (Ry)=  0.0500

     PseudoPot. # 1 for Al read from file:
     ../../pseudo/Al.pz-vbc.UPF
     MD5 check sum: f06ceae8da0fe5c02c98e3688433298c
     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, C_2v (mm2)  point group:


     Atomic displacements:
     There are   3 irreducible representations

     Representation     1      1 modes -A_1  D_1  S_1  To be done

     Representation     2      1 modes -B_1  D_3  S_3  To be done

     Representation     3      1 modes -B_2  D_4  S_4  To be done



     Alpha used in Ewald sum =   0.7000
     PHONON       :     46.06s CPU     48.58s WALL



     Representation #  1 mode #   1

     Self-consistent Calculation

      iter #   1 total cpu time :    48.9 secs   av.it.:   4.0
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  6.628E-04

      iter #   2 total cpu time :    49.2 secs   av.it.:   4.9
      thresh= 2.574E-03 alpha_mix =  0.700 |ddv_scf|^2 =  2.330E-03

      iter #   3 total cpu time :    49.5 secs   av.it.:   4.1
      thresh= 4.827E-03 alpha_mix =  0.700 |ddv_scf|^2 =  4.772E-08

      iter #   4 total cpu time :    49.8 secs   av.it.:   5.9
      thresh= 2.184E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.749E-09

      iter #   5 total cpu time :    50.1 secs   av.it.:   5.4
      thresh= 4.182E-06 alpha_mix =  0.700 |ddv_scf|^2 =  7.393E-11

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  2 mode #   2

     Self-consistent Calculation

      iter #   1 total cpu time :    50.6 secs   av.it.:   3.2
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  2.031E-07

      iter #   2 total cpu time :    50.9 secs   av.it.:   5.2
      thresh= 4.507E-05 alpha_mix =  0.700 |ddv_scf|^2 =  1.465E-08

      iter #   3 total cpu time :    51.1 secs   av.it.:   5.0
      thresh= 1.210E-05 alpha_mix =  0.700 |ddv_scf|^2 =  2.194E-10

      iter #   4 total cpu time :    51.4 secs   av.it.:   5.1
      thresh= 1.481E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.610E-13

     End of self-consistent calculation

     Convergence has been achieved 


     Representation #  3 mode #   3

     Self-consistent Calculation

      iter #   1 total cpu time :    51.9 secs   av.it.:   3.6
      thresh= 1.000E-02 alpha_mix =  0.700 |ddv_scf|^2 =  5.702E-06

      iter #   2 total cpu time :    52.2 secs   av.it.:   5.4
      thresh= 2.388E-04 alpha_mix =  0.700 |ddv_scf|^2 =  3.765E-07

      iter #   3 total cpu time :    52.5 secs   av.it.:   5.3
      thresh= 6.136E-05 alpha_mix =  0.700 |ddv_scf|^2 =  3.022E-09

      iter #   4 total cpu time :    52.8 secs   av.it.:   5.2
      thresh= 5.497E-06 alpha_mix =  0.700 |ddv_scf|^2 =  1.988E-12

     End of self-consistent calculation

     Convergence has been achieved 
 
     Number of q in the star =   12
     List of q in the star:
          1   0.500000000   0.500000000   0.000000000
          2   0.000000000   0.500000000   0.500000000
          3  -0.500000000   0.000000000  -0.500000000
          4  -0.500000000  -0.500000000   0.000000000
          5   0.000000000  -0.500000000  -0.500000000
          6  -0.500000000   0.000000000   0.500000000
          7  -0.500000000   0.500000000   0.000000000
          8   0.500000000  -0.500000000   0.000000000
          9   0.500000000   0.000000000  -0.500000000
         10   0.000000000  -0.500000000   0.500000000
         11   0.000000000   0.500000000  -0.500000000
         12   0.500000000   0.000000000   0.500000000

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.500000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.864101 [THz] =     162.248947 [cm-1]
     freq (    2) =       6.528749 [THz] =     217.775609 [cm-1]
     freq (    3) =       8.467445 [THz] =     282.443561 [cm-1]
 **************************************************************************

     Mode symmetry, C_2v (mm2)  point group:

     freq (  1 -  1) =        162.2  [cm-1]   --> B_1  D_3  S_3      
     freq (  2 -  2) =        217.8  [cm-1]   --> B_2  D_4  S_4      
     freq (  3 -  3) =        282.4  [cm-1]   --> A_1  D_1  S_1      
 
     Gaussian Broadening:   0.020 Ry, ngauss=   0
     DOS =  2.675810 states/spin/Ry/Unit Cell at Ef=  8.278657 eV
     double delta at Ef = 40.569273
     lambda(    1)=  0.1200   gamma=    7.25 GHz
     lambda(    2)=  0.1920   gamma=   20.91 GHz
     lambda(    3)=  0.9766   gamma=  178.91 GHz
 
     Gaussian Broadening:   0.040 Ry, ngauss=   0
     DOS =  2.703426 states/spin/Ry/Unit Cell at Ef=  8.200073 eV
     double delta at Ef = 22.157373
     lambda(    1)=  0.0585   gamma=    3.58 GHz
     lambda(    2)=  0.1723   gamma=   18.96 GHz
     lambda(    3)=  0.3917   gamma=   72.50 GHz
 
     Gaussian Broadening:   0.060 Ry, ngauss=   0
     DOS =  2.781707 states/spin/Ry/Unit Cell at Ef=  8.181999 eV
     double delta at Ef = 18.361264
     lambda(    1)=  0.0478   gamma=    3.00 GHz
     lambda(    2)=  0.1541   gamma=   17.45 GHz
     lambda(    3)=  0.2632   gamma=   50.13 GHz
 
     Gaussian Broadening:   0.080 Ry, ngauss=   0
     DOS =  2.793243 states/spin/Ry/Unit Cell at Ef=  8.205910 eV
     double delta at Ef = 16.418327
     lambda(    1)=  0.0422   gamma=    2.66 GHz
     lambda(    2)=  0.1424   gamma=   16.19 GHz
     lambda(    3)=  0.2192   gamma=   41.93 GHz
 
     Gaussian Broadening:   0.100 Ry, ngauss=   0
     DOS =  2.781101 states/spin/Ry/Unit Cell at Ef=  8.232628 eV
     double delta at Ef = 15.413854
     lambda(    1)=  0.0396   gamma=    2.49 GHz
     lambda(    2)=  0.1383   gamma=   15.66 GHz
     lambda(    3)=  0.2049   gamma=   39.01 GHz
 
     Gaussian Broadening:   0.120 Ry, ngauss=   0
     DOS =  2.753459 states/spin/Ry/Unit Cell at Ef=  8.253279 eV
     double delta at Ef = 14.878508
     lambda(    1)=  0.0390   gamma=    2.43 GHz
     lambda(    2)=  0.1369   gamma=   15.34 GHz
     lambda(    3)=  0.2014   gamma=   37.97 GHz
 
     Gaussian Broadening:   0.140 Ry, ngauss=   0
     DOS =  2.719703 states/spin/Ry/Unit Cell at Ef=  8.267107 eV
     double delta at Ef = 14.573333
     lambda(    1)=  0.0396   gamma=    2.43 GHz
     lambda(    2)=  0.1362   gamma=   15.08 GHz
     lambda(    3)=  0.2012   gamma=   37.46 GHz
 
     Gaussian Broadening:   0.160 Ry, ngauss=   0
     DOS =  2.693266 states/spin/Ry/Unit Cell at Ef=  8.275890 eV
     double delta at Ef = 14.414003
     lambda(    1)=  0.0405   gamma=    2.46 GHz
     lambda(    2)=  0.1360   gamma=   14.90 GHz
     lambda(    3)=  0.2015   gamma=   37.16 GHz
 
     Gaussian Broadening:   0.180 Ry, ngauss=   0
     DOS =  2.678788 states/spin/Ry/Unit Cell at Ef=  8.281617 eV
     double delta at Ef = 14.350015
     lambda(    1)=  0.0415   gamma=    2.51 GHz
     lambda(    2)=  0.1360   gamma=   14.82 GHz
     lambda(    3)=  0.2015   gamma=   36.96 GHz
 
     Gaussian Broadening:   0.200 Ry, ngauss=   0
     DOS =  2.674046 states/spin/Ry/Unit Cell at Ef=  8.285684 eV
     double delta at Ef = 14.342522
     lambda(    1)=  0.0426   gamma=    2.57 GHz
     lambda(    2)=  0.1361   gamma=   14.81 GHz
     lambda(    3)=  0.2012   gamma=   36.83 GHz
 
     init_run     :      0.07s CPU      0.07s WALL (       9 calls)
     electrons    :     20.36s CPU     21.09s WALL (       9 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       9 calls)
     potinit      :      0.00s CPU      0.00s WALL (       9 calls)
     hinit0       :      0.04s CPU      0.04s WALL (       9 calls)

     Called by electrons:
     c_bands      :     20.34s CPU     21.07s WALL (       9 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (      10 calls)

     Called by c_bands:
     init_us_2    :      0.46s CPU      0.47s WALL (   23105 calls)
     cegterg      :     18.69s CPU     19.28s WALL (    2237 calls)

     Called by sum_band:

     Called by *egterg:
     cdiaghg      :      3.62s CPU      3.66s WALL (   31113 calls)
     h_psi        :     28.97s CPU     30.09s WALL (  116286 calls)
     g_psi        :      0.20s CPU      0.21s WALL (   28964 calls)

     Called by h_psi:
     h_psi:calbec :      0.58s CPU      0.71s WALL (  116286 calls)
     vloc_psi     :     27.54s CPU     28.31s WALL (  116286 calls)
     add_vuspsi   :      0.44s CPU      0.51s WALL (  116286 calls)

     General routines
     calbec       :      0.67s CPU      0.76s WALL (  223876 calls)
     fft          :      0.03s CPU      0.03s WALL (     442 calls)
     ffts         :      0.18s CPU      0.18s WALL (    3521 calls)
     fftw         :     33.42s CPU     34.02s WALL (  734970 calls)
     davcio       :      0.31s CPU      0.88s WALL (   86017 calls)
 
     Parallel routines
 
     PHONON       :     50.29s CPU     53.05s WALL

     INITIALIZATION: 
     phq_setup    :      0.04s CPU      0.04s WALL (      10 calls)
     phq_init     :      0.17s CPU      0.20s WALL (      10 calls)
 
     phq_init     :      0.17s CPU      0.20s WALL (      10 calls)
     init_vloc    :      0.00s CPU      0.00s WALL (      10 calls)
     init_us_1    :      0.02s CPU      0.02s WALL (      10 calls)
 
     DYNAMICAL MATRIX:
     dynmat0      :      0.09s CPU      0.11s WALL (      10 calls)
     phqscf       :     28.92s CPU     30.80s WALL (      10 calls)
     dynmatrix    :      0.01s CPU      0.02s WALL (      10 calls)
 
     phqscf       :     28.92s CPU     30.80s WALL (      10 calls)
     solve_linter :     28.70s CPU     30.55s WALL (      21 calls)
     drhodv       :      0.18s CPU      0.21s WALL (      21 calls)
 
     dynmat0      :      0.09s CPU      0.11s WALL (      10 calls)
     dynmat_us    :      0.09s CPU      0.10s WALL (      10 calls)
     d2ionq       :      0.00s CPU      0.00s WALL (      10 calls)
 
     dynmat_us    :      0.09s CPU      0.10s WALL (      10 calls)
 
     phqscf       :     28.92s CPU     30.80s WALL (      10 calls)
     solve_linter :     28.70s CPU     30.55s WALL (      21 calls)
 
     solve_linter :     28.70s CPU     30.55s WALL (      21 calls)
     dvqpsi_us    :      2.34s CPU      2.40s WALL (    3354 calls)
     ortho        :      0.18s CPU      0.19s WALL (   14913 calls)
     cgsolve      :     15.92s CPU     17.04s WALL (   14913 calls)
     incdrhoscf   :      3.22s CPU      3.20s WALL (   14913 calls)
     vpsifft      :      2.36s CPU      2.40s WALL (   11559 calls)
     dv_of_drho   :      0.02s CPU      0.02s WALL (     122 calls)
     mix_pot      :      0.02s CPU      0.03s WALL (      93 calls)
     ef_shift     :      0.00s CPU      0.01s WALL (       8 calls)
     localdos     :      0.01s CPU      0.01s WALL (       2 calls)
     psymdvscf    :      0.24s CPU      0.24s WALL (      93 calls)
 
     dvqpsi_us    :      2.34s CPU      2.40s WALL (    3354 calls)
     dvqpsi_us_on :      0.07s CPU      0.10s WALL (    3354 calls)
 
     cgsolve      :     15.92s CPU     17.04s WALL (   14913 calls)
     ch_psi       :     15.53s CPU     16.60s WALL (   82936 calls)
 
     ch_psi       :     15.53s CPU     16.60s WALL (   82936 calls)
     h_psi        :     28.97s CPU     30.09s WALL (  116286 calls)
     last         :      0.58s CPU      0.77s WALL (   82936 calls)
 
     h_psi        :     28.97s CPU     30.09s WALL (  116286 calls)
     add_vuspsi   :      0.44s CPU      0.51s WALL (  116286 calls)
 
     incdrhoscf   :      3.22s CPU      3.20s WALL (   14913 calls)
 
 
      General routines
     calbec       :      0.67s CPU      0.76s WALL (  223876 calls)
     fft          :      0.03s CPU      0.03s WALL (     442 calls)
     ffts         :      0.18s CPU      0.18s WALL (    3521 calls)
     fftw         :     33.42s CPU     34.02s WALL (  734970 calls)
     davcio       :      0.31s CPU      0.88s WALL (   86017 calls)
     write_rec    :      0.14s CPU      0.16s WALL (     114 calls)
 
 
     PHONON       :     50.29s CPU     53.05s WALL

 
   This run was terminated on:  18:42:21  21Mar2020            

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