
     Program PHONON v.6.5 starts on 14Apr2020 at 17:37:52 

     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     4 processors

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =       4
     Fft bands division:     nmany     =       1

     Reading xml data from directory:

     /group2/jmlim/program/qe-dev-dvscf/tempdir/diam.save/

     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

               file C.UPF: wavefunction(s)  3d renormalized
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 
     Reading collected, re-writing distributed wavefunctions


     Dynamical matrices for ( 4, 4, 4)  uniform grid of q-points
     (  64 q-points):
       N         xq(1)         xq(2)         xq(3) 
       1   0.000000000   0.000000000   0.000000000
       2  -0.250000000   0.250000000  -0.250000000
       3   0.500000000  -0.500000000   0.500000000
       4   0.250000000  -0.250000000   0.250000000
       5   0.250000000   0.250000000   0.250000000
       6   0.000000000   0.500000000   0.000000000
       7   0.750000000  -0.250000000   0.750000000
       8   0.500000000   0.000000000   0.500000000
       9  -0.500000000  -0.500000000  -0.500000000
      10  -0.750000000  -0.250000000  -0.750000000
      11   0.000000000  -1.000000000   0.000000000
      12  -0.250000000  -0.750000000  -0.250000000
      13  -0.250000000  -0.250000000  -0.250000000
      14  -0.500000000   0.000000000  -0.500000000
      15   0.250000000  -0.750000000   0.250000000
      16   0.000000000  -0.500000000   0.000000000
      17  -0.250000000  -0.250000000   0.250000000
      18  -0.500000000   0.000000000   0.000000000
      19   0.250000000  -0.750000000   0.750000000
      20   0.000000000  -0.500000000   0.500000000
      21   0.000000000   0.000000000   0.500000000
      22  -0.250000000   0.250000000   0.250000000
      23   0.500000000  -0.500000000   1.000000000
      24   0.250000000  -0.250000000   0.750000000
      25  -0.750000000  -0.750000000  -0.250000000
      26  -1.000000000  -0.500000000  -0.500000000
      27  -0.250000000  -1.250000000   0.250000000
      28  -0.500000000  -1.000000000   0.000000000
      29  -0.500000000  -0.500000000   0.000000000
      30  -0.750000000  -0.250000000  -0.250000000
      31   0.000000000  -1.000000000   0.500000000
      32  -0.250000000  -0.750000000   0.250000000
      33   0.500000000   0.500000000  -0.500000000
      34   0.250000000   0.750000000  -0.750000000
      35   1.000000000   0.000000000   0.000000000
      36   0.750000000   0.250000000  -0.250000000
      37   0.750000000   0.750000000  -0.250000000
      38   0.500000000   1.000000000  -0.500000000
      39   1.250000000   0.250000000   0.250000000
      40   1.000000000   0.500000000   0.000000000
      41   0.000000000   0.000000000  -1.000000000
      42  -0.250000000   0.250000000  -1.250000000
      43   0.500000000  -0.500000000  -0.500000000
      44   0.250000000  -0.250000000  -0.750000000
      45   0.250000000   0.250000000  -0.750000000
      46   0.000000000   0.500000000  -1.000000000
      47   0.750000000  -0.250000000  -0.250000000
      48   0.500000000   0.000000000  -0.500000000
      49   0.250000000   0.250000000  -0.250000000
      50   0.000000000   0.500000000  -0.500000000
      51   0.750000000  -0.250000000   0.250000000
      52   0.500000000   0.000000000   0.000000000
      53   0.500000000   0.500000000   0.000000000
      54   0.250000000   0.750000000  -0.250000000
      55   1.000000000   0.000000000   0.500000000
      56   0.750000000   0.250000000   0.250000000
      57  -0.250000000  -0.250000000  -0.750000000
      58  -0.500000000   0.000000000  -1.000000000
      59   0.250000000  -0.750000000  -0.250000000
      60   0.000000000  -0.500000000  -0.500000000
      61   0.000000000   0.000000000  -0.500000000
      62  -0.250000000   0.250000000  -0.750000000
      63   0.500000000  -0.500000000   0.000000000
      64   0.250000000  -0.250000000  -0.250000000

     Calculation of q =    0.0000000   0.0000000   0.0000000

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     2

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      0.86s CPU      0.89s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_dw for ik =        1
     Computing ahc_gkk for ik =        2
     Computing ahc_dw for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000   0.2500000  -0.2500000

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

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000   0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000   0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_2/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        0.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500 0.2500-0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500 0.2500 0.4800 (   579 PWs)   bands (ev):

    -4.7227   4.7193  10.3062  10.8071  21.0675  23.9222  24.1891  27.8209
    35.2066  36.1050  40.2901  41.1098  52.2147  56.1066  56.6078

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_2/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000   0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      1.08s CPU      1.13s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000  -0.5000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     234
     Max          92      92     31                 1162     1162     238
     Sum         367     367    121                 4645     4645     941
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000  -0.5000000   0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000  -0.5000000   1.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_3/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        0.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000-0.5000 0.5000 (   580 PWs)   bands (ev):

    -1.9354   0.0248  10.9256  10.9256  22.4206  22.4206  23.4372  29.6658
    36.0248  38.5289  40.3069  40.3069  48.6822  48.6822  60.5601

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000-0.5000 1.2300 (   579 PWs)   bands (ev):

    -2.9770   2.2626   8.8795  10.7960  22.1838  23.2732  24.7863  29.4695
    34.4675  36.9050  38.9526  42.9372  51.3947  53.4790  57.2051

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_3/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000  -0.5000000   0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      1.28s CPU      1.36s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_4/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        0.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.2500 0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.2500 0.9800 (   577 PWs)   bands (ev):

     0.8163   2.0193   4.1092   8.2595  19.6198  24.8298  28.5676  29.9838
    32.9086  38.7203  40.2007  48.6282  54.2327  56.5048  60.5130

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_4/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      1.50s CPU      1.60s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000   0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000   0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000   0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_5/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        0.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500 0.2500 0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500 0.2500 0.9800 (   577 PWs)   bands (ev):

     0.8163   2.0193   4.1092   8.2595  19.6198  24.8298  28.5676  29.9838
    32.9086  38.7203  40.2007  48.6282  54.2327  56.5048  60.5130

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_5/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      1.71s CPU      1.83s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000   0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000   0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000   0.5000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_6/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        0.7 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000 0.5000 0.0000 (   576 PWs)   bands (ev):

    -5.6909   9.4006   9.5372   9.5372  18.3960  24.3343  25.7108  25.7108
    34.6567  36.2996  44.0724  47.0077  47.0077  50.0272  55.8310

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000 0.5000 0.7300 (   574 PWs)   bands (ev):

    -1.0329   3.4831   4.6767   8.4058  22.1835  24.8278  27.5383  28.9192
    31.9893  37.1417  40.5742  47.3912  53.4114  56.3020  58.6223

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_6/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.5000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      1.91s CPU      2.06s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.7500000  -0.2500000   0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     31                 1161     1161     241
     Max          92      92     32                 1162     1162     242
     Sum         367     367    127                 4645     4645     965
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.7500000  -0.2500000   0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.7500000  -0.2500000   1.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_7/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        0.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.7500-0.2500 0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.7500-0.2500 1.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_7/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.7500000  -0.2500000   0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      2.11s CPU      2.29s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000   0.0000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000   0.0000000   0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000   0.0000000   1.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_8/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        1.0 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000 0.0000 0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000 0.0000 1.2300 (   572 PWs)   bands (ev):

    -0.5668   3.2575   4.5708   7.8683  22.4599  24.8705  27.3152  28.7224
    32.3294  37.2527  41.1408  47.2165  53.9154  56.5519  58.9786

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_8/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000   0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      2.32s CPU      2.53s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.5000000  -0.5000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.5000000  -0.5000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.5000000  -0.5000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_9/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        1.2 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.5000-0.5000-0.5000 (   580 PWs)   bands (ev):

    -1.9354   0.0248  10.9256  10.9256  22.4206  22.4206  23.4372  29.6658
    36.0248  38.5289  40.3069  40.3069  48.6822  48.6822  60.5601

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.5000-0.5000 0.2300 (   579 PWs)   bands (ev):

    -2.9770   2.2626   8.8795  10.7960  22.1838  23.2732  24.7863  29.4695
    34.4675  36.9050  38.9526  42.9372  51.3947  53.4790  57.2051

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_9/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000  -0.5000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      2.53s CPU      2.77s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.7500000  -0.2500000  -0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.7500000  -0.2500000  -0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.7500000  -0.2500000  -0.0200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_10/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        1.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.7500-0.2500-0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.7500-0.2500-0.0200 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_10/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.7500000  -0.2500000  -0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      2.74s CPU      3.00s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000  -1.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000  -1.0000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000  -1.0000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_11/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        1.5 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000-1.0000 0.0000 (   588 PWs)   bands (ev):

     0.9566   0.9566   7.2862   7.2862  18.6944  18.6944  31.1167  31.1167
    37.5808  37.5808  46.8438  46.8438  53.1009  53.1009  63.5534

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000-1.0000 0.7300 (   580 PWs)   bands (ev):

     1.3893   1.3893   6.0857   6.0857  21.1542  21.1542  29.6363  29.6363
    36.3137  36.3137  45.3973  45.3973  56.9249  56.9249  59.4977

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_11/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000  -1.0000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      2.96s CPU      3.24s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000  -0.7500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     205
     Max          92      92     31                 1162     1162     206
     Sum         367     367    121                 4645     4645     821
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000  -0.7500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000  -0.7500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_12/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        1.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500-0.7500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500-0.7500 0.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_12/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000  -0.7500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      3.18s CPU      3.47s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000  -0.2500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000  -0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000  -0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_13/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        1.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500-0.2500-0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500-0.2500 0.4800 (   579 PWs)   bands (ev):

    -4.7227   4.7193  10.3062  10.8071  21.0675  23.9222  24.1891  27.8209
    35.2066  36.1050  40.2901  41.1098  52.2147  56.1066  56.6078

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_13/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000  -0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      3.40s CPU      3.71s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.5000000   0.0000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.5000000   0.0000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.5000000   0.0000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_14/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        1.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.5000 0.0000-0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.5000 0.0000 0.2300 (   574 PWs)   bands (ev):

    -5.2018   7.4657   8.3065  10.7938  20.2755  24.3024  25.7103  25.7876
    35.0602  35.7774  40.3293  47.5250  47.6215  54.5423  55.9941

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_14/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000   0.0000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      3.61s CPU      3.94s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.7500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.7500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.7500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_15/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        2.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.7500 0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.7500 0.9800 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_15/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.7500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      3.81s CPU      4.17s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000  -0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000  -0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000  -0.5000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_16/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        2.2 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000-0.5000 0.0000 (   576 PWs)   bands (ev):

    -5.6909   9.4006   9.5372   9.5372  18.3960  24.3343  25.7108  25.7108
    34.6567  36.2996  44.0724  47.0077  47.0077  50.0272  55.8310

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000-0.5000 0.7300 (   574 PWs)   bands (ev):

    -1.0329   3.4831   4.6767   8.4058  22.1835  24.8278  27.5383  28.9192
    31.9893  37.1417  40.5742  47.3912  53.4114  56.3020  58.6223

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_16/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000  -0.5000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      4.02s CPU      4.40s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000  -0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000  -0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000  -0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_17/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        2.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500-0.2500 0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500-0.2500 0.9800 (   577 PWs)   bands (ev):

     0.8163   2.0193   4.1092   8.2595  19.6198  24.8298  28.5676  29.9838
    32.9086  38.7203  40.2007  48.6282  54.2327  56.5048  60.5130

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_17/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000  -0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      4.23s CPU      4.64s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.5000000   0.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.5000000   0.0000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.5000000   0.0000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_18/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        2.5 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.5000 0.0000 0.0000 (   576 PWs)   bands (ev):

    -5.6909   9.4006   9.5372   9.5372  18.3960  24.3343  25.7108  25.7108
    34.6567  36.2996  44.0724  47.0077  47.0077  50.0272  55.8310

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.5000 0.0000 0.7300 (   574 PWs)   bands (ev):

    -1.0329   3.4831   4.6767   8.4058  22.1835  24.8278  27.5383  28.9192
    31.9893  37.1417  40.5742  47.3912  53.4114  56.3020  58.6223

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_18/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000   0.0000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      4.44s CPU      4.87s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.7500000   0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     31                 1161     1161     241
     Max          92      92     32                 1162     1162     242
     Sum         367     367    127                 4645     4645     965
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.7500000   0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.7500000   1.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_19/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        2.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.7500 0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.7500 1.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_19/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.7500000   0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      4.65s CPU      5.10s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000  -0.5000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000  -0.5000000   0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000  -0.5000000   1.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_20/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        2.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000-0.5000 0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000-0.5000 1.2300 (   572 PWs)   bands (ev):

    -0.5668   3.2575   4.5708   7.8683  22.4599  24.8705  27.3152  28.7224
    32.3294  37.2527  41.1408  47.2165  53.9154  56.5519  58.9786

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_20/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000  -0.5000000   0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      4.86s CPU      5.33s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000   0.0000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000   0.0000000   0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000   0.0000000   1.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_21/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        2.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000 0.0000 0.5000 (   576 PWs)   bands (ev):

    -5.6909   9.4006   9.5372   9.5372  18.3960  24.3343  25.7108  25.7108
    34.6567  36.2996  44.0724  47.0077  47.0077  50.0272  55.8310

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000 0.0000 1.2300 (   568 PWs)   bands (ev):

    -2.5540   4.9158   7.7760   7.7760  18.0958  20.4476  29.6060  29.6060
    36.4961  37.7255  48.2025  48.4435  48.4435  56.4189  56.4190

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_21/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000   0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      5.07s CPU      5.57s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000   0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000   0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000   0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_22/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        3.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500 0.2500 0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500 0.2500 0.9800 (   577 PWs)   bands (ev):

     0.8163   2.0193   4.1092   8.2595  19.6198  24.8298  28.5676  29.9838
    32.9086  38.7203  40.2007  48.6282  54.2327  56.5048  60.5130

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_22/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000   0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      5.28s CPU      5.80s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000  -0.5000000   1.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     34                 1161     1161     266
     Max          92      92     35                 1162     1162     267
     Sum         367     367    139                 4645     4645    1067
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000  -0.5000000   1.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000  -0.5000000   1.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.95 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_23/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        3.2 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000-0.5000 1.0000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000-0.5000 1.7300 (   577 PWs)   bands (ev):

    -2.8167   1.7784   9.3789  10.8243  22.2503  23.0701  24.4370  29.5855
    34.7491  37.5348  38.8929  42.2203  50.7596  52.4832  58.1793

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_23/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000  -0.5000000   1.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      5.50s CPU      6.04s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.2500000   0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     234
     Max          92      92     31                 1162     1162     238
     Sum         367     367    121                 4645     4645     941
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.2500000   0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.2500000   1.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_24/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.0

     total cpu time spent up to now is        3.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.2500 0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.2500 1.4800 (   579 PWs)   bands (ev):

    -4.3579   4.3725  10.0268  10.3367  20.9090  24.3569  24.6619  27.4100
    35.2272  36.3824  40.9504  41.5523  51.4217  56.6084  56.6679

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_24/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.2500000   0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      5.72s CPU      6.28s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.7500000  -0.7500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.7500000  -0.7500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.7500000  -0.7500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_25/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.0

     total cpu time spent up to now is        3.5 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.7500-0.7500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.7500-0.7500 0.4800 (   579 PWs)   bands (ev):

    -4.3579   4.3725  10.0268  10.3367  20.9090  24.3569  24.6619  27.4100
    35.2272  36.3824  40.9504  41.5523  51.4217  56.6084  56.6679

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_25/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.7500000  -0.7500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      5.93s CPU      6.52s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -1.0000000  -0.5000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -1.0000000  -0.5000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -1.0000000  -0.5000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.95 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_26/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        3.7 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-1.0000-0.5000-0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-1.0000-0.5000 0.2300 (   572 PWs)   bands (ev):

    -0.5668   3.2575   4.5708   7.8683  22.4599  24.8705  27.3152  28.7224
    32.3294  37.2527  41.1408  47.2165  53.9154  56.5519  58.9786

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_26/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -1.0000000  -0.5000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      6.15s CPU      6.75s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000  -1.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     234
     Max          92      92     31                 1162     1162     238
     Sum         367     367    121                 4645     4645     941
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000  -1.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000  -1.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.95 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_27/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        3.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500-1.2500 0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500-1.2500 0.9800 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_27/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000  -1.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      6.36s CPU      6.98s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.5000000  -1.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.5000000  -1.0000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.5000000  -1.0000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_28/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.8

     total cpu time spent up to now is        4.0 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.5000-1.0000 0.0000 (   560 PWs)   bands (ev):

     1.8667   1.8667   5.1187   5.1187  24.5090  24.5090  26.7095  26.7095
    35.6054  35.6054  44.8916  44.8916  57.8925  57.8925  60.1726

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.5000-1.0000 0.7300 (   576 PWs)   bands (ev):

    -5.0180   7.0917   7.9509  10.9209  20.8606  23.9121  25.7229  26.2267
    35.0649  35.5784  39.7571  47.7328  47.8369  54.4021  56.3020

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_28/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000  -1.0000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      6.57s CPU      7.21s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.5000000  -0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.5000000  -0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.5000000  -0.5000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_29/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        4.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.5000-0.5000 0.0000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.5000-0.5000 0.7300 (   577 PWs)   bands (ev):

    -2.8167   1.7784   9.3789  10.8243  22.2503  23.0701  24.4370  29.5855
    34.7491  37.5348  38.8929  42.2203  50.7596  52.4832  58.1793

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_29/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000  -0.5000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      6.78s CPU      7.45s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.7500000  -0.2500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     205
     Max          92      92     31                 1162     1162     206
     Sum         367     367    121                 4645     4645     821
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.7500000  -0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.7500000  -0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_30/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        4.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.7500-0.2500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.7500-0.2500 0.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_30/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.7500000  -0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      6.99s CPU      7.68s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000  -1.0000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     234
     Max          92      92     31                 1162     1162     238
     Sum         367     367    121                 4645     4645     941
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000  -1.0000000   0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000  -1.0000000   1.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_31/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.8

     total cpu time spent up to now is        4.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000-1.0000 0.5000 (   560 PWs)   bands (ev):

     1.8667   1.8667   5.1187   5.1187  24.5090  24.5090  26.7095  26.7095
    35.6054  35.6054  44.8916  44.8916  57.8925  57.8925  60.1726

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000-1.0000 1.2300 (   578 PWs)   bands (ev):

     1.2808   1.2808   6.3495   6.3495  20.5464  20.5464  30.0691  30.0691
    36.5638  36.5638  45.6048  45.6048  56.1818  56.1818  59.9123

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_31/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000  -1.0000000   0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      7.21s CPU      7.91s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000  -0.7500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000  -0.7500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000  -0.7500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_32/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        4.5 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500-0.7500 0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500-0.7500 0.9800 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_32/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000  -0.7500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      7.42s CPU      8.15s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000   0.5000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000   0.5000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000   0.5000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_33/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        4.7 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000 0.5000-0.5000 (   580 PWs)   bands (ev):

    -1.9354   0.0248  10.9256  10.9256  22.4206  22.4206  23.4372  29.6658
    36.0248  38.5289  40.3069  40.3069  48.6822  48.6822  60.5601

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000 0.5000 0.2300 (   579 PWs)   bands (ev):

    -2.9770   2.2626   8.8795  10.7960  22.1838  23.2732  24.7863  29.4695
    34.4675  36.9050  38.9526  42.9372  51.3947  53.4790  57.2051

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_33/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.5000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      7.62s CPU      8.38s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000   0.7500000  -0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000   0.7500000  -0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000   0.7500000  -0.0200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_34/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        4.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500 0.7500-0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500 0.7500-0.0200 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_34/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.7500000  -0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      7.83s CPU      8.61s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    1.0000000   0.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   1.0000000   0.0000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   1.0000000   0.0000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_35/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        5.0 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 1.0000 0.0000 0.0000 (   588 PWs)   bands (ev):

     0.9566   0.9566   7.2862   7.2862  18.6944  18.6944  31.1167  31.1167
    37.5808  37.5808  46.8438  46.8438  53.1009  53.1009  63.5534

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 1.0000 0.0000 0.7300 (   580 PWs)   bands (ev):

     1.3893   1.3893   6.0857   6.0857  21.1542  21.1542  29.6363  29.6363
    36.3137  36.3137  45.3973  45.3973  56.9249  56.9249  59.4977

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_35/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.0000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      8.04s CPU      8.84s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.7500000   0.2500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     205
     Max          92      92     31                 1162     1162     206
     Sum         367     367    121                 4645     4645     821
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.7500000   0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.7500000   0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_36/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        5.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.7500 0.2500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.7500 0.2500 0.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_36/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      8.24s CPU      9.07s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.7500000   0.7500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.7500000   0.7500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.7500000   0.7500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_37/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.0

     total cpu time spent up to now is        5.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.7500 0.7500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.7500 0.7500 0.4800 (   579 PWs)   bands (ev):

    -4.3579   4.3725  10.0268  10.3367  20.9090  24.3569  24.6619  27.4100
    35.2272  36.3824  40.9504  41.5523  51.4217  56.6084  56.6679

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_37/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.7500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      8.46s CPU      9.31s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000   1.0000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000   1.0000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000   1.0000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.95 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_38/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        5.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000 1.0000-0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000 1.0000 0.2300 (   572 PWs)   bands (ev):

    -0.5668   3.2575   4.5708   7.8683  22.4599  24.8705  27.3152  28.7224
    32.3294  37.2527  41.1408  47.2165  53.9154  56.5519  58.9786

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_38/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   1.0000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      8.67s CPU      9.54s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    1.2500000   0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     234
     Max          92      92     31                 1162     1162     238
     Sum         367     367    121                 4645     4645     941
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   1.2500000   0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   1.2500000   0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.95 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_39/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        5.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 1.2500 0.2500 0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 1.2500 0.2500 0.9800 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_39/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   1.2500000   0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      8.88s CPU      9.78s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    1.0000000   0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   1.0000000   0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   1.0000000   0.5000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_40/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.8

     total cpu time spent up to now is        5.7 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 1.0000 0.5000 0.0000 (   560 PWs)   bands (ev):

     1.8667   1.8667   5.1187   5.1187  24.5090  24.5090  26.7095  26.7095
    35.6054  35.6054  44.8916  44.8916  57.8925  57.8925  60.1726

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 1.0000 0.5000 0.7300 (   576 PWs)   bands (ev):

    -5.0180   7.0917   7.9509  10.9209  20.8606  23.9121  25.7229  26.2267
    35.0649  35.5784  39.7571  47.7328  47.8369  54.4021  56.3020

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_40/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.5000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      9.10s CPU     10.01s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000   0.0000000  -1.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000   0.0000000  -1.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000   0.0000000  -0.2700000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_41/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations =  9.8

     total cpu time spent up to now is        5.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000 0.0000-1.0000 (   588 PWs)   bands (ev):

     0.9566   0.9566   7.2862   7.2862  18.6944  18.6944  31.1167  31.1167
    37.5808  37.5808  46.8438  46.8438  53.1009  53.1009  63.5534

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000 0.0000-0.2700 (   568 PWs)   bands (ev):

    -7.3586  11.8093  11.8093  12.3536  19.0554  22.1000  22.1000  27.8388
    34.4529  34.7149  41.9380  43.3595  43.3595  46.7371  55.2503

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_41/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000  -1.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      9.31s CPU     10.24s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000   0.2500000  -1.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000   0.2500000  -1.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000   0.2500000  -0.5200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.95 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_42/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.0

     total cpu time spent up to now is        6.0 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500 0.2500-1.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500 0.2500-0.5200 (   579 PWs)   bands (ev):

    -4.3579   4.3725  10.0268  10.3367  20.9090  24.3569  24.6619  27.4100
    35.2272  36.3824  40.9504  41.5523  51.4217  56.6084  56.6679

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_42/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000   0.2500000  -1.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      9.52s CPU     10.47s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000  -0.5000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000  -0.5000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000  -0.5000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_43/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.8

     total cpu time spent up to now is        6.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000-0.5000-0.5000 (   580 PWs)   bands (ev):

    -1.9354   0.0248  10.9256  10.9256  22.4206  22.4206  23.4372  29.6658
    36.0248  38.5289  40.3069  40.3069  48.6822  48.6822  60.5601

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000-0.5000 0.2300 (   579 PWs)   bands (ev):

    -2.9770   2.2626   8.8795  10.7960  22.1838  23.2732  24.7863  29.4695
    34.4675  36.9050  38.9526  42.9372  51.3947  53.4790  57.2051

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_43/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000  -0.5000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      9.72s CPU     10.71s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.2500000  -0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.2500000  -0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.2500000  -0.0200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_44/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        6.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.2500-0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.2500-0.0200 (   566 PWs)   bands (ev):

    -6.8618   9.7318  10.5189  13.0323  20.7091  22.1040  22.2681  28.3664
    34.7786  34.9574  37.4446  44.0695  45.4852  52.9012  56.7066

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_44/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.2500000  -0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :      9.94s CPU     10.94s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000   0.2500000  -0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000   0.2500000  -0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000   0.2500000  -0.0200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_45/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        6.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500 0.2500-0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500 0.2500-0.0200 (   566 PWs)   bands (ev):

    -6.8618   9.7318  10.5189  13.0323  20.7091  22.1040  22.2681  28.3664
    34.7786  34.9574  37.4446  44.0695  45.4852  52.9012  56.7066

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_45/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000  -0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     10.15s CPU     11.18s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000   0.5000000  -1.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000   0.5000000  -1.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000   0.5000000  -0.2700000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_46/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.8

     total cpu time spent up to now is        6.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000 0.5000-1.0000 (   560 PWs)   bands (ev):

     1.8667   1.8667   5.1187   5.1187  24.5090  24.5090  26.7095  26.7095
    35.6054  35.6054  44.8916  44.8916  57.8925  57.8925  60.1726

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000 0.5000-0.2700 (   576 PWs)   bands (ev):

    -5.0180   7.0917   7.9509  10.9209  20.8606  23.9121  25.7229  26.2267
    35.0649  35.5784  39.7571  47.7328  47.8369  54.4021  56.3020

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_46/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.5000000  -1.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     10.37s CPU     11.41s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.7500000  -0.2500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     205
     Max          92      92     31                 1162     1162     206
     Sum         367     367    121                 4645     4645     821
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.7500000  -0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.7500000  -0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_47/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        6.7 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.7500-0.2500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.7500-0.2500 0.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_47/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.7500000  -0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     10.59s CPU     11.65s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000   0.0000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000   0.0000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000   0.0000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_48/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        6.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000 0.0000-0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000 0.0000 0.2300 (   574 PWs)   bands (ev):

    -5.2018   7.4657   8.3065  10.7938  20.2755  24.3024  25.7103  25.7876
    35.0602  35.7774  40.3293  47.5250  47.6215  54.5423  55.9941

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_48/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     10.79s CPU     11.88s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000   0.2500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000   0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000   0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_49/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        7.0 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500 0.2500-0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500 0.2500 0.4800 (   579 PWs)   bands (ev):

    -4.7227   4.7193  10.3062  10.8071  21.0675  23.9222  24.1891  27.8209
    35.2066  36.1050  40.2901  41.1098  52.2147  56.1066  56.6078

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_49/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     11.00s CPU     12.21s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000   0.5000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000   0.5000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000   0.5000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_50/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        7.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000 0.5000-0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000 0.5000 0.2300 (   574 PWs)   bands (ev):

    -5.2018   7.4657   8.3065  10.7938  20.2755  24.3024  25.7103  25.7876
    35.0602  35.7774  40.3293  47.5250  47.6215  54.5423  55.9941

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_50/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.5000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     11.23s CPU     12.52s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.7500000  -0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.7500000  -0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.7500000  -0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_51/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        7.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.7500-0.2500 0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.7500-0.2500 0.9800 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_51/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.7500000  -0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     11.45s CPU     12.75s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000   0.0000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000   0.0000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000   0.0000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_52/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        7.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000 0.0000 0.0000 (   576 PWs)   bands (ev):

    -5.6909   9.4006   9.5372   9.5372  18.3960  24.3343  25.7108  25.7108
    34.6567  36.2996  44.0724  47.0077  47.0077  50.0272  55.8310

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000 0.0000 0.7300 (   574 PWs)   bands (ev):

    -1.0329   3.4831   4.6767   8.4058  22.1835  24.8278  27.5383  28.9192
    31.9893  37.1417  40.5742  47.3912  53.4114  56.3020  58.6223

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_52/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.0000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     11.66s CPU     12.98s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000   0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000   0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000   0.5000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_53/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        7.7 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000 0.5000 0.0000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000 0.5000 0.7300 (   577 PWs)   bands (ev):

    -2.8167   1.7784   9.3789  10.8243  22.2503  23.0701  24.4370  29.5855
    34.7491  37.5348  38.8929  42.2203  50.7596  52.4832  58.1793

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_53/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000   0.5000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     11.86s CPU     13.21s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000   0.7500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     205
     Max          92      92     31                 1162     1162     206
     Sum         367     367    121                 4645     4645     821
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000   0.7500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000   0.7500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_54/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        7.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500 0.7500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500 0.7500 0.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_54/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000   0.7500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     12.07s CPU     13.45s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    1.0000000   0.0000000   0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     234
     Max          92      92     31                 1162     1162     238
     Sum         367     367    121                 4645     4645     941
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   1.0000000   0.0000000   0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   1.0000000   0.0000000   1.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_55/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.8

     total cpu time spent up to now is        8.0 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 1.0000 0.0000 0.5000 (   560 PWs)   bands (ev):

     1.8667   1.8667   5.1187   5.1187  24.5090  24.5090  26.7095  26.7095
    35.6054  35.6054  44.8916  44.8916  57.8925  57.8925  60.1726

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 1.0000 0.0000 1.2300 (   578 PWs)   bands (ev):

     1.2808   1.2808   6.3495   6.3495  20.5464  20.5464  30.0691  30.0691
    36.5638  36.5638  45.6048  45.6048  56.1818  56.1818  59.9123

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_55/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   1.0000000   0.0000000   0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     12.28s CPU     13.68s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.7500000   0.2500000   0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1160     1160     222
     Max          92      92     31                 1162     1162     225
     Sum         367     367    121                 4645     4645     893
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.7500000   0.2500000   0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.7500000   0.2500000   0.9800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_56/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.2

     total cpu time spent up to now is        8.2 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.7500 0.2500 0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.7500 0.2500 0.9800 (   577 PWs)   bands (ev):

    -2.2881   4.8150   6.5832   7.6524  20.2993  22.5795  27.2722  29.3736
    35.8335  36.7357  43.8400  47.3987  52.3462  53.7690  56.2609

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_56/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.7500000   0.2500000   0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     12.50s CPU     13.91s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000  -0.2500000  -0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000  -0.2500000  -0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000  -0.2500000  -0.0200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_57/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        8.3 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500-0.2500-0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500-0.2500-0.0200 (   566 PWs)   bands (ev):

    -6.8618   9.7318  10.5189  13.0323  20.7091  22.1040  22.2681  28.3664
    34.7786  34.9574  37.4446  44.0695  45.4852  52.9012  56.7066

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_57/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000  -0.2500000  -0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     12.71s CPU     14.15s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.5000000   0.0000000  -1.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.5000000   0.0000000  -1.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.5000000   0.0000000  -0.2700000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.99 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_58/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.8

     total cpu time spent up to now is        8.5 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.5000 0.0000-1.0000 (   560 PWs)   bands (ev):

     1.8667   1.8667   5.1187   5.1187  24.5090  24.5090  26.7095  26.7095
    35.6054  35.6054  44.8916  44.8916  57.8925  57.8925  60.1726

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.5000 0.0000-0.2700 (   576 PWs)   bands (ev):

    -5.0180   7.0917   7.9509  10.9209  20.8606  23.9121  25.7229  26.2267
    35.0649  35.5784  39.7571  47.7328  47.8369  54.4021  56.3020

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_58/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.5000000   0.0000000  -1.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     12.91s CPU     14.38s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.7500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     205
     Max          92      92     31                 1162     1162     206
     Sum         367     367    121                 4645     4645     821
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.7500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.7500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_59/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        8.6 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.7500-0.2500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.7500 0.4800 (   573 PWs)   bands (ev):

    -0.9183   1.1258   7.3970   8.9470  22.1183  23.7339  27.4360  29.0300
    32.3809  38.3030  40.6995  43.4703  52.4962  55.7038  57.4274

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_59/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.7500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     13.12s CPU     14.61s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000  -0.5000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000  -0.5000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000  -0.5000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_60/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        8.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000-0.5000-0.5000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000-0.5000 0.2300 (   574 PWs)   bands (ev):

    -5.2018   7.4657   8.3065  10.7938  20.2755  24.3024  25.7103  25.7876
    35.0602  35.7774  40.3293  47.5250  47.6215  54.5423  55.9941

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_60/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000  -0.5000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     13.34s CPU     14.86s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.0000000   0.0000000  -0.5000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.0000000   0.0000000  -0.5000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.0000000   0.0000000   0.2300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_61/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 10.5

     total cpu time spent up to now is        8.9 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.0000 0.0000-0.5000 (   576 PWs)   bands (ev):

    -5.6909   9.4006   9.5372   9.5372  18.3960  24.3343  25.7108  25.7108
    34.6567  36.2996  44.0724  47.0077  47.0077  50.0272  55.8310

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.0000 0.0000 0.2300 (   564 PWs)   bands (ev):

    -7.5487  12.2306  12.2306  12.7348  19.1654  21.5204  21.5204  28.1021
    34.1772  35.3006  41.6969  42.9189  42.9189  46.2529  53.6509

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_61/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.0000000   0.0000000  -0.5000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     13.55s CPU     15.08s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =   -0.2500000   0.2500000  -0.7500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     186
     Max          92      92     28                 1162     1162     189
     Sum         367     367    109                 4645     4645     749
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (  -0.2500000   0.2500000  -0.7500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (  -0.2500000   0.2500000  -0.0200000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.94 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_62/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        9.1 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k =-0.2500 0.2500-0.7500 (   573 PWs)   bands (ev):

    -1.7942   2.8578   6.9324   8.7610  20.0334  25.4987  26.9522  27.6946
    34.4872  37.9758  41.9415  45.3117  50.8206  56.2886  59.0130

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k =-0.2500 0.2500-0.0200 (   566 PWs)   bands (ev):

    -6.8618   9.7318  10.5189  13.0323  20.7091  22.1040  22.2681  28.3664
    34.7786  34.9574  37.4446  44.0695  45.4852  52.9012  56.7066

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_62/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (  -0.2500000   0.2500000  -0.7500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     13.76s CPU     15.32s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.5000000  -0.5000000   0.0000000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     30                 1161     1161     216
     Max          93      93     31                 1162     1162     218
     Sum         367     367    121                 4645     4645     869
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.5000000  -0.5000000   0.0000000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.5000000  -0.5000000   0.7300000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_63/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 11.0

     total cpu time spent up to now is        9.2 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.5000-0.5000 0.0000 (   574 PWs)   bands (ev):

    -3.4205   5.0606   5.9608  10.7002  21.9551  24.0677  26.5620  28.3264
    33.7076  34.9051  39.1082  47.6484  50.4350  56.2574  57.3070

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.5000-0.5000 0.7300 (   577 PWs)   bands (ev):

    -2.8167   1.7784   9.3789  10.8243  22.2503  23.0701  24.4370  29.5855
    34.7491  37.5348  38.8929  42.2203  50.7596  52.4832  58.1793

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_63/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.5000000  -0.5000000   0.0000000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     13.98s CPU     15.56s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done

     Calculation of q =    0.2500000  -0.2500000  -0.2500000
 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min          91      91     27                 1161     1161     181
     Max          92      92     28                 1162     1162     182
     Sum         367     367    109                 4645     4645     725
 

     Title: 
     electron-phonon of diamond on a fine 444 grid                              


     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           15
     kinetic-energy cutoff     =      60.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)

     celldm(1)=   6.640000  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 C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        C              4.00    12.01078     C ( 1.00)

     No symmetry found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.0000000   0.0000000   0.0000000  )
         2           C   tau(   2) = (   0.2500000   0.2500000   0.2500000  )

     number of k points=     4
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   2.0000000
        k(    2) = (   0.2500000  -0.2500000  -0.2500000), wk =   0.0000000
        k(    3) = (   0.0000000   0.0000000   0.7300000), wk =   2.0000000
        k(    4) = (   0.2500000  -0.2500000   0.4800000), wk =   0.0000000

     Dense  grid:     4645 G-vectors     FFT dimensions: (  24,  24,  24)

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.93 MB

     The potential is recalculated from file :
     /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_64/diam.save/charge-density

     Starting wfcs are   18 atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-10,  avg # of iterations = 12.2

     total cpu time spent up to now is        9.4 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 (   561 PWs)   bands (ev):

    -8.0533  13.8192  13.8192  13.8192  19.5055  19.5055  19.5055  28.2514
    33.3673  41.0591  41.0591  41.7395  41.7395  41.7395  48.8957

          k = 0.2500-0.2500-0.2500 (   573 PWs)   bands (ev):

    -6.2781   7.1167  12.0107  12.0107  21.7707  21.7707  22.4334  29.0639
    34.8085  36.6181  36.6181  39.6820  53.7395  53.7395  57.6322

          k = 0.0000 0.0000 0.7300 (   576 PWs)   bands (ev):

    -3.0928   5.6130   7.9595   7.9595  18.0834  20.8964  29.1116  29.1116
    36.2425  37.6211  47.4801  48.8331  48.8331  55.2858  55.4376

          k = 0.2500-0.2500 0.4800 (   579 PWs)   bands (ev):

    -4.7227   4.7193  10.3062  10.8071  21.0675  23.9222  24.1891  27.8209
    35.2066  36.1050  40.2901  41.1098  52.2147  56.1066  56.6078

     highest occupied, lowest unoccupied level (ev):    13.8192   18.0834

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/_ph0/diam.q_64/diam.save/

     electron-phonon of diamond on a fine 444 grid                              

     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.6400  a.u.
     unit-cell volume          =      73.1887 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     kinetic-energy cut-off    =      60.0000  Ry
     charge density cut-off    =     240.0000  Ry
     convergence threshold     =      1.0E-20
     beta                      =       0.7000
     number of iterations used =            4
     Exchange-correlation= PZ
                           (   1   1   0   0   0   0   0)


     celldm(1)=    6.64000  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     C   12.0108   tau(    1) = (    0.00000    0.00000    0.00000  )
        2     C   12.0108   tau(    2) = (    0.25000    0.25000    0.25000  )

     Computing dynamical matrix for 
                    q = (   0.2500000  -0.2500000  -0.2500000 )
 
     No symmetry!

     G cutoff =  268.0326  (   1162 G-vectors)     FFT grid: ( 24, 24, 24)
     number of k points=     4

     PseudoPot. # 1 for C  read from file:
     /group2/jmlim/program/qe-dev-dvscf/pseudo/C.UPF
     MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  461 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     Mode symmetry, C_1 (1)     point group:


     Atomic displacements:
     There are    6 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

     Representation     4      1 modes -A  To be done

     Representation     5      1 modes -A  To be done

     Representation     6      1 modes -A  To be done


     PHONON       :     14.19s CPU     15.79s WALL

     Fourier interpolating dVscf
 
     Begin electron-phonon calculation for AHC theory
     Computing ahc_gkk for ik =        1
     Computing ahc_gkk for ik =        2
     AHC e-ph calculation done
 
     init_run     :      0.69s CPU      0.70s WALL (      63 calls)
     electrons    :      7.81s CPU      8.18s WALL (      63 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (      63 calls)
     potinit      :      0.05s CPU      0.06s WALL (      63 calls)
     hinit0       :      0.55s CPU      0.55s WALL (      63 calls)

     Called by electrons:
     c_bands      :      7.81s CPU      8.18s WALL (      63 calls)
     v_of_rho     :      0.02s CPU      0.02s WALL (      64 calls)

     Called by c_bands:
     init_us_2    :      0.03s CPU      0.04s WALL (    1148 calls)
     cegterg      :      7.07s CPU      7.38s WALL (     252 calls)

     Called by *egterg:
     cdiaghg      :      2.10s CPU      2.09s WALL (    3096 calls)
     h_psi        :      4.72s CPU      5.05s WALL (    3348 calls)
     g_psi        :      0.07s CPU      0.06s WALL (    2844 calls)

     Called by h_psi:
     h_psi:calbec :      0.11s CPU      0.11s WALL (    3348 calls)
     vloc_psi     :      4.52s CPU      4.85s WALL (    3348 calls)
     add_vuspsi   :      0.07s CPU      0.06s WALL (    3348 calls)

     General routines
     calbec       :      0.12s CPU      0.12s WALL (    3860 calls)
     fft          :      0.13s CPU      0.15s WALL (    1344 calls)
     ffts         :      0.10s CPU      0.12s WALL (     768 calls)
     fftw         :      6.32s CPU      6.69s WALL (  107784 calls)
     davcio       :      0.32s CPU      0.95s WALL (   15218 calls)
 
     Parallel routines
     fft_scatt_xy :      0.73s CPU      0.74s WALL (  109896 calls)
     fft_scatt_yz :      1.64s CPU      1.78s WALL (  109896 calls)
 
     PHONON       :     14.25s CPU     15.87s WALL

     INITIALIZATION: 
     phq_setup    :      0.36s CPU      0.38s WALL (      64 calls)
     phq_init     :      0.34s CPU      0.35s WALL (      64 calls)
 
     phq_init     :      0.34s CPU      0.35s WALL (      64 calls)
     init_vloc    :      0.03s CPU      0.03s WALL (      64 calls)
     init_us_1    :      0.20s CPU      0.20s WALL (      64 calls)
 
 
 
 
     dvqpsi_us    :      1.64s CPU      1.77s WALL (     768 calls)
 
     dvqpsi_us    :      1.64s CPU      1.77s WALL (     768 calls)
     dvqpsi_us_on :      0.04s CPU      0.05s WALL (     768 calls)
 
 
     h_psi        :      4.72s CPU      5.05s WALL (    3348 calls)
 
     h_psi        :      4.72s CPU      5.05s WALL (    3348 calls)
     add_vuspsi   :      0.07s CPU      0.06s WALL (    3348 calls)
 
 
 
      Electron-phonon coupling
     elphon       :      3.67s CPU      4.52s WALL (      64 calls)
     elphel       :      2.53s CPU      2.73s WALL (     384 calls)
 
      Fourier interpolation of dVscf
     dvscf_r2q    :      1.12s CPU      1.78s WALL (      64 calls)
     dvscf_davcio :      0.32s CPU      0.90s WALL (   10368 calls)
     dvscf_scatgr :      0.58s CPU      0.58s WALL (   10368 calls)
     dvscf_bare   :      0.05s CPU      0.07s WALL (      64 calls)
 
      El-ph coupling for electron self-energy
     ahc_elph     :      0.12s CPU      0.15s WALL (      64 calls)
     ahc_dw       :      0.00s CPU      0.00s WALL (       2 calls)
     ahc_gkk      :      0.02s CPU      0.02s WALL (     128 calls)
     ahc_gauge    :      0.08s CPU      0.10s WALL (     128 calls)
 
      General routines
     calbec       :      0.12s CPU      0.12s WALL (    3860 calls)
     fft          :      0.13s CPU      0.15s WALL (    1344 calls)
     ffts         :      0.10s CPU      0.12s WALL (     768 calls)
     fftw         :      6.32s CPU      6.69s WALL (  107784 calls)
     davcio       :      0.32s CPU      0.95s WALL (   15218 calls)
 
 
     PHONON       :     14.25s CPU     15.87s WALL

 
   This run was terminated on:  17:38: 7  14Apr2020            

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