
     Program PHONON v.6.5 starts on 21Mar2020 at 18:42:22 

     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 using Fourier interpolation of dvscf   

     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


     PHONON       :      0.16s CPU      0.17s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn1

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.171312 [THz] =       5.714340 [cm-1]
     freq (    2) =       0.171312 [THz] =       5.714340 [cm-1]
     freq (    3) =       0.171312 [THz] =       5.714340 [cm-1]
 **************************************************************************
 
     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 using Fourier interpolation of dvscf   


     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        2.0 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 using Fourier interpolation of dvscf   

     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


     PHONON       :      2.31s CPU      2.41s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn2

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       2.295452 [THz] =      76.568033 [cm-1]
     freq (    2) =       2.295452 [THz] =      76.568033 [cm-1]
     freq (    3) =       4.006882 [THz] =     133.655194 [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 = 20.425507
     lambda(    1)=  0.1971   gamma=    2.65 GHz
     lambda(    2)=  0.1971   gamma=    2.65 GHz
     lambda(    3)=  0.0284   gamma=    1.17 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 = 19.334701
     lambda(    1)=  0.4732   gamma=    6.44 GHz
     lambda(    2)=  0.4732   gamma=    6.44 GHz
     lambda(    3)=  0.1749   gamma=    7.25 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)=  0.3191   gamma=    4.47 GHz
     lambda(    2)=  0.3191   gamma=    4.47 GHz
     lambda(    3)=  0.3083   gamma=   13.15 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)=  0.2745   gamma=    3.86 GHz
     lambda(    2)=  0.2745   gamma=    3.86 GHz
     lambda(    3)=  0.3493   gamma=   14.96 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)=  0.2810   gamma=    3.93 GHz
     lambda(    2)=  0.2810   gamma=    3.93 GHz
     lambda(    3)=  0.3604   gamma=   15.37 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)=  0.2976   gamma=    4.12 GHz
     lambda(    2)=  0.2976   gamma=    4.12 GHz
     lambda(    3)=  0.3623   gamma=   15.29 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)=  0.3126   gamma=    4.28 GHz
     lambda(    2)=  0.3126   gamma=    4.28 GHz
     lambda(    3)=  0.3616   gamma=   15.08 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)=  0.3236   gamma=    4.39 GHz
     lambda(    2)=  0.3236   gamma=    4.39 GHz
     lambda(    3)=  0.3592   gamma=   14.83 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)=  0.3309   gamma=    4.46 GHz
     lambda(    2)=  0.3309   gamma=    4.46 GHz
     lambda(    3)=  0.3551   gamma=   14.58 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)=  0.3355   gamma=    4.51 GHz
     lambda(    2)=  0.3355   gamma=    4.51 GHz
     lambda(    3)=  0.3492   gamma=   14.32 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 using Fourier interpolation of dvscf   


     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        3.9 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 using Fourier interpolation of dvscf   

     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


     PHONON       :      4.67s CPU      4.88s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn3

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.200411 [THz] =     140.110639 [cm-1]
     freq (    2) =       4.200411 [THz] =     140.110639 [cm-1]
     freq (    3) =       6.475305 [THz] =     215.992926 [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 =  1.280706
     lambda(    1)=  0.0000   gamma=    0.00 GHz
     lambda(    2)=  0.0000   gamma=    0.00 GHz
     lambda(    3)=  0.0582   gamma=    6.24 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)=  0.0345   gamma=    1.57 GHz
     lambda(    2)=  0.0345   gamma=    1.57 GHz
     lambda(    3)=  0.2567   gamma=   27.78 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)=  0.2741   gamma=   30.52 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)=  0.1284   gamma=    6.04 GHz
     lambda(    2)=  0.1284   gamma=    6.04 GHz
     lambda(    3)=  0.2682   gamma=   29.99 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)=  0.1449   gamma=    6.79 GHz
     lambda(    2)=  0.1449   gamma=    6.79 GHz
     lambda(    3)=  0.2628   gamma=   29.26 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)=  0.1537   gamma=    7.13 GHz
     lambda(    2)=  0.1537   gamma=    7.13 GHz
     lambda(    3)=  0.2588   gamma=   28.53 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)=  0.1582   gamma=    7.25 GHz
     lambda(    2)=  0.1582   gamma=    7.25 GHz
     lambda(    3)=  0.2578   gamma=   28.07 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)=  0.1603   gamma=    7.27 GHz
     lambda(    2)=  0.1603   gamma=    7.27 GHz
     lambda(    3)=  0.2586   gamma=   27.89 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)=  0.1610   gamma=    7.27 GHz
     lambda(    2)=  0.1610   gamma=    7.27 GHz
     lambda(    3)=  0.2597   gamma=   27.86 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)=  0.1610   gamma=    7.26 GHz
     lambda(    2)=  0.1610   gamma=    7.26 GHz
     lambda(    3)=  0.2603   gamma=   27.87 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 using Fourier interpolation of dvscf   


     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        5.1 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_4/aluminum.save/

     Electron-phonon coefficients for Al using Fourier interpolation of dvscf   

     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


     PHONON       :      6.27s CPU      6.54s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn4

     Diagonalizing the dynamical matrix

     q = (    1.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       6.062766 [THz] =     202.232095 [cm-1]
     freq (    2) =       6.062766 [THz] =     202.232095 [cm-1]
     freq (    3) =       9.881199 [THz] =     329.601333 [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)=  0.3985   gamma=   37.43 GHz
     lambda(    2)=  0.3985   gamma=   37.43 GHz
     lambda(    3)=  0.0555   gamma=   13.84 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)=  0.1849   gamma=   17.55 GHz
     lambda(    2)=  0.1849   gamma=   17.55 GHz
     lambda(    3)=  0.1925   gamma=   48.53 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 = 14.910232
     lambda(    1)=  0.1529   gamma=   14.93 GHz
     lambda(    2)=  0.1529   gamma=   14.93 GHz
     lambda(    3)=  0.1300   gamma=   33.71 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)=  0.1297   gamma=   12.71 GHz
     lambda(    2)=  0.1297   gamma=   12.71 GHz
     lambda(    3)=  0.1130   gamma=   29.42 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)=  0.1146   gamma=   11.18 GHz
     lambda(    2)=  0.1146   gamma=   11.18 GHz
     lambda(    3)=  0.1187   gamma=   30.78 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)=  0.1071   gamma=   10.36 GHz
     lambda(    2)=  0.1071   gamma=   10.36 GHz
     lambda(    3)=  0.1288   gamma=   33.06 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 = 12.291335
     lambda(    1)=  0.1047   gamma=   10.00 GHz
     lambda(    2)=  0.1047   gamma=   10.00 GHz
     lambda(    3)=  0.1379   gamma=   34.97 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)=  0.1047   gamma=    9.89 GHz
     lambda(    2)=  0.1047   gamma=    9.89 GHz
     lambda(    3)=  0.1448   gamma=   36.37 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)=  0.1053   gamma=    9.90 GHz
     lambda(    2)=  0.1053   gamma=    9.90 GHz
     lambda(    3)=  0.1496   gamma=   37.36 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)=  0.1059   gamma=    9.94 GHz
     lambda(    2)=  0.1059   gamma=    9.94 GHz
     lambda(    3)=  0.1528   gamma=   38.09 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 using Fourier interpolation of dvscf   


     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       10.6 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_5/aluminum.save/

     Electron-phonon coefficients for Al using Fourier interpolation of dvscf   

     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


     PHONON       :     11.92s CPU     12.44s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn5

     Diagonalizing the dynamical matrix

     q = (    0.750000000   0.250000000   0.250000000 ) 

 **************************************************************************
     freq (    1) =       5.392359 [THz] =     179.869752 [cm-1]
     freq (    2) =       6.716390 [THz] =     224.034655 [cm-1]
     freq (    3) =       8.785622 [THz] =     293.056789 [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 = 16.984783
     lambda(    1)=  0.1111   gamma=    8.25 GHz
     lambda(    2)=  0.1593   gamma=   18.37 GHz
     lambda(    3)=  0.3725   gamma=   73.48 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)=  0.0793   gamma=    5.95 GHz
     lambda(    2)=  0.1038   gamma=   12.08 GHz
     lambda(    3)=  0.2261   gamma=   45.05 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)=  0.0875   gamma=    6.76 GHz
     lambda(    2)=  0.1099   gamma=   13.17 GHz
     lambda(    3)=  0.2311   gamma=   47.38 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)=  0.0878   gamma=    6.81 GHz
     lambda(    2)=  0.1065   gamma=   12.81 GHz
     lambda(    3)=  0.2189   gamma=   45.06 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)=  0.0871   gamma=    6.73 GHz
     lambda(    2)=  0.1039   gamma=   12.45 GHz
     lambda(    3)=  0.2053   gamma=   42.09 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)=  0.0871   gamma=    6.66 GHz
     lambda(    2)=  0.1039   gamma=   12.32 GHz
     lambda(    3)=  0.1976   gamma=   40.11 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)=  0.0879   gamma=    6.64 GHz
     lambda(    2)=  0.1055   gamma=   12.36 GHz
     lambda(    3)=  0.1947   gamma=   39.02 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)=  0.0891   gamma=    6.66 GHz
     lambda(    2)=  0.1075   gamma=   12.47 GHz
     lambda(    3)=  0.1937   gamma=   38.46 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)=  0.0902   gamma=    6.71 GHz
     lambda(    2)=  0.1094   gamma=   12.62 GHz
     lambda(    3)=  0.1931   gamma=   38.12 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)=  0.0912   gamma=    6.77 GHz
     lambda(    2)=  0.1109   gamma=   12.77 GHz
     lambda(    3)=  0.1922   gamma=   37.88 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 using Fourier interpolation of dvscf   


     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       12.0 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 using Fourier interpolation of dvscf   

     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


     PHONON       :     14.85s CPU     15.49s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn6

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.500000000   0.500000000 ) 

 **************************************************************************
     freq (    1) =       4.438911 [THz] =     148.066119 [cm-1]
     freq (    2) =       4.438911 [THz] =     148.066119 [cm-1]
     freq (    3) =       9.422633 [THz] =     314.305203 [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)=  0.0302   gamma=    6.84 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)=  0.0535   gamma=    2.72 GHz
     lambda(    2)=  0.0535   gamma=    2.72 GHz
     lambda(    3)=  0.1353   gamma=   31.01 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)=  0.1435   gamma=   33.84 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)=  0.1541   gamma=   36.50 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)=  0.1636   gamma=   38.58 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)=  0.1719   gamma=   40.13 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)=  0.1805   gamma=   41.62 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)=  0.0741   gamma=    3.76 GHz
     lambda(    2)=  0.0741   gamma=    3.76 GHz
     lambda(    3)=  0.1882   gamma=   42.97 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)=  0.0737   gamma=    3.71 GHz
     lambda(    2)=  0.0737   gamma=    3.71 GHz
     lambda(    3)=  0.1939   gamma=   44.04 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 = 14.224196
     lambda(    1)=  0.0734   gamma=    3.69 GHz
     lambda(    2)=  0.0734   gamma=    3.69 GHz
     lambda(    3)=  0.1976   gamma=   44.80 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 using Fourier interpolation of dvscf   


     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       14.4 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_7/aluminum.save/

     Electron-phonon coefficients for Al using Fourier interpolation of dvscf   

     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


     PHONON       :     17.50s CPU     18.26s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn7

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.250000000   0.250000000 ) 

 **************************************************************************
     freq (    1) =       3.512884 [THz] =     117.177206 [cm-1]
     freq (    2) =       3.512884 [THz] =     117.177206 [cm-1]
     freq (    3) =       6.337625 [THz] =     211.400399 [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 = 26.430867
     lambda(    1)=  0.0460   gamma=    1.45 GHz
     lambda(    2)=  0.0460   gamma=    1.45 GHz
     lambda(    3)=  0.3535   gamma=   36.28 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)=  0.3630   gamma=   37.64 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)=  0.0727   gamma=    2.38 GHz
     lambda(    2)=  0.0727   gamma=    2.38 GHz
     lambda(    3)=  0.3383   gamma=   36.09 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)=  0.0719   gamma=    2.37 GHz
     lambda(    2)=  0.0719   gamma=    2.37 GHz
     lambda(    3)=  0.3167   gamma=   33.93 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 = 18.018277
     lambda(    1)=  0.0726   gamma=    2.38 GHz
     lambda(    2)=  0.0726   gamma=    2.38 GHz
     lambda(    3)=  0.3023   gamma=   32.25 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=    2.41 GHz
     lambda(    2)=  0.0744   gamma=    2.41 GHz
     lambda(    3)=  0.2935   gamma=   31.00 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=    2.47 GHz
     lambda(    2)=  0.0772   gamma=    2.47 GHz
     lambda(    3)=  0.2898   gamma=   30.23 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)=  0.0805   gamma=    2.56 GHz
     lambda(    2)=  0.0805   gamma=    2.56 GHz
     lambda(    3)=  0.2890   gamma=   29.86 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)=  0.0839   gamma=    2.65 GHz
     lambda(    2)=  0.0839   gamma=    2.65 GHz
     lambda(    3)=  0.2894   gamma=   29.73 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)=  0.0872   gamma=    2.75 GHz
     lambda(    2)=  0.0872   gamma=    2.75 GHz
     lambda(    3)=  0.2897   gamma=   29.72 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 using Fourier interpolation of dvscf   


     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       14.7 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 using Fourier interpolation of dvscf   

     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


     PHONON       :     18.42s CPU     19.22s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn8

     Diagonalizing the dynamical matrix

     q = (    0.000000000   0.000000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       0.172821 [THz] =       5.764680 [cm-1]
     freq (    2) =       0.172821 [THz] =       5.764680 [cm-1]
     freq (    3) =       0.172821 [THz] =       5.764680 [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 =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 using Fourier interpolation of dvscf   


     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       17.8 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_9/aluminum.save/

     Electron-phonon coefficients for Al using Fourier interpolation of dvscf   

     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


     PHONON       :     21.58s CPU     22.48s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn9

     Diagonalizing the dynamical matrix

     q = (    0.250000000   0.250000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       3.022844 [THz] =     100.831228 [cm-1]
     freq (    2) =       3.330076 [THz] =     111.079394 [cm-1]
     freq (    3) =       5.522148 [THz] =     184.199023 [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 = 20.055744
     lambda(    1)=  0.0284   gamma=    0.66 GHz
     lambda(    2)=  0.0649   gamma=    1.84 GHz
     lambda(    3)=  0.7787   gamma=   60.67 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)=  0.0578   gamma=    1.36 GHz
     lambda(    2)=  0.1148   gamma=    3.29 GHz
     lambda(    3)=  0.4600   gamma=   36.21 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)=  0.0608   gamma=    1.48 GHz
     lambda(    2)=  0.1601   gamma=    4.72 GHz
     lambda(    3)=  0.3551   gamma=   28.76 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)=  0.0627   gamma=    1.53 GHz
     lambda(    2)=  0.1809   gamma=    5.35 GHz
     lambda(    3)=  0.3095   gamma=   25.17 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)=  0.0657   gamma=    1.59 GHz
     lambda(    2)=  0.1917   gamma=    5.65 GHz
     lambda(    3)=  0.2945   gamma=   23.85 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)=  0.0686   gamma=    1.65 GHz
     lambda(    2)=  0.1982   gamma=    5.78 GHz
     lambda(    3)=  0.2911   gamma=   23.34 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)=  0.0718   gamma=    1.70 GHz
     lambda(    2)=  0.2033   gamma=    5.85 GHz
     lambda(    3)=  0.2923   gamma=   23.15 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)=  0.0751   gamma=    1.77 GHz
     lambda(    2)=  0.2073   gamma=    5.91 GHz
     lambda(    3)=  0.2946   gamma=   23.11 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)=  0.0783   gamma=    1.83 GHz
     lambda(    2)=  0.2101   gamma=    5.96 GHz
     lambda(    3)=  0.2962   gamma=   23.10 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)=  0.0813   gamma=    1.90 GHz
     lambda(    2)=  0.2118   gamma=    6.00 GHz
     lambda(    3)=  0.2962   gamma=   23.07 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 using Fourier interpolation of dvscf   


     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       20.9 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 using Fourier interpolation of dvscf   

     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


     PHONON       :     25.52s CPU     26.58s WALL

     Fourier interpolating dVscf
     Reading dynamics matrix from file al.elph.dyn10

     Diagonalizing the dynamical matrix

     q = (    0.500000000   0.500000000   0.000000000 ) 

 **************************************************************************
     freq (    1) =       4.864101 [THz] =     162.248937 [cm-1]
     freq (    2) =       6.528749 [THz] =     217.775611 [cm-1]
     freq (    3) =       8.467445 [THz] =     282.443559 [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 = 40.569273
     lambda(    1)=  0.1200   gamma=    7.26 GHz
     lambda(    2)=  0.1985   gamma=   21.62 GHz
     lambda(    3)=  0.9122   gamma=  167.11 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)=  0.1787   gamma=   19.66 GHz
     lambda(    3)=  0.3653   gamma=   67.61 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)=  0.0477   gamma=    3.00 GHz
     lambda(    2)=  0.1601   gamma=   18.13 GHz
     lambda(    3)=  0.2452   gamma=   46.69 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)=  0.1482   gamma=   16.85 GHz
     lambda(    3)=  0.2041   gamma=   39.03 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)=  0.0395   gamma=    2.48 GHz
     lambda(    2)=  0.1442   gamma=   16.32 GHz
     lambda(    3)=  0.1906   gamma=   36.29 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)=  0.1427   gamma=   15.99 GHz
     lambda(    3)=  0.1871   gamma=   35.27 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)=  0.0395   gamma=    2.43 GHz
     lambda(    2)=  0.1420   gamma=   15.72 GHz
     lambda(    3)=  0.1866   gamma=   34.75 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 = 14.414003
     lambda(    1)=  0.0405   gamma=    2.46 GHz
     lambda(    2)=  0.1418   gamma=   15.54 GHz
     lambda(    3)=  0.1867   gamma=   34.43 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)=  0.1418   gamma=   15.46 GHz
     lambda(    3)=  0.1866   gamma=   34.22 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)=  0.0425   gamma=    2.57 GHz
     lambda(    2)=  0.1419   gamma=   15.45 GHz
     lambda(    3)=  0.1862   gamma=   34.09 GHz
 
     init_run     :      0.07s CPU      0.07s WALL (       9 calls)
     electrons    :     19.81s CPU     20.56s WALL (       9 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       9 calls)
     potinit      :      0.01s CPU      0.00s WALL (       9 calls)
     hinit0       :      0.04s CPU      0.04s WALL (       9 calls)

     Called by electrons:
     c_bands      :     19.79s CPU     20.54s WALL (       9 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (      10 calls)

     Called by c_bands:
     init_us_2    :      0.10s CPU      0.13s WALL (    6061 calls)
     cegterg      :     18.24s CPU     18.86s WALL (    2237 calls)

     Called by sum_band:

     Called by *egterg:
     cdiaghg      :      3.56s CPU      3.66s WALL (   31113 calls)
     h_psi        :     13.99s CPU     14.43s WALL (   33350 calls)
     g_psi        :      0.17s CPU      0.21s WALL (   28964 calls)

     Called by h_psi:
     h_psi:calbec :      0.25s CPU      0.31s WALL (   33350 calls)
     vloc_psi     :     13.39s CPU     13.69s WALL (   33350 calls)
     add_vuspsi   :      0.20s CPU      0.23s WALL (   33350 calls)

     General routines
     calbec       :      0.21s CPU      0.26s WALL (   37822 calls)
     fft          :      0.01s CPU      0.01s WALL (     120 calls)
     ffts         :      0.17s CPU      0.15s WALL (    3354 calls)
     fftw         :     15.70s CPU     15.85s WALL (  362466 calls)
     davcio       :      0.05s CPU      0.11s WALL (   10696 calls)
 
     Parallel routines
 
     PHONON       :     26.43s CPU     27.53s WALL

     INITIALIZATION: 
     phq_setup    :      0.03s CPU      0.04s WALL (      10 calls)
     phq_init     :      0.07s CPU      0.09s WALL (      10 calls)
 
     phq_init     :      0.07s CPU      0.09s WALL (      10 calls)
     init_vloc    :      0.00s CPU      0.00s WALL (      10 calls)
     init_us_1    :      0.02s CPU      0.02s WALL (      10 calls)
 
 
 
 
     dvqpsi_us    :      2.24s CPU      2.29s WALL (    3354 calls)
 
     dvqpsi_us    :      2.24s CPU      2.29s WALL (    3354 calls)
     dvqpsi_us_on :      0.10s CPU      0.10s WALL (    3354 calls)
 
 
     h_psi        :     13.99s CPU     14.43s WALL (   33350 calls)
 
     h_psi        :     13.99s CPU     14.43s WALL (   33350 calls)
     add_vuspsi   :      0.20s CPU      0.23s WALL (   33350 calls)
 
 
 
      Fourier interpolation of dVscf
     dvscf_r2q    :      0.04s CPU      0.05s WALL (      10 calls)
     dvscf_davcio :      0.01s CPU      0.02s WALL (     810 calls)
     dvscf_scatgr :      0.01s CPU      0.01s WALL (     810 calls)
     dvscf_bare   :      0.00s CPU      0.00s WALL (      10 calls)
 
      General routines
     calbec       :      0.21s CPU      0.26s WALL (   37822 calls)
     fft          :      0.01s CPU      0.01s WALL (     120 calls)
     ffts         :      0.17s CPU      0.15s WALL (    3354 calls)
     fftw         :     15.70s CPU     15.85s WALL (  362466 calls)
     davcio       :      0.05s CPU      0.11s WALL (   10696 calls)
 
 
     PHONON       :     26.43s CPU     27.53s WALL

 
   This run was terminated on:  18:42:49  21Mar2020            

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