
     Program PWSCF v.6.5 starts on 14Apr2020 at 17:37:33 

     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
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     Atomic positions and unit cell read from directory:
     /group2/jmlim/program/qe-dev-dvscf/tempdir/diam.save/                                                                                                                                                                                                           
 
               file C.UPF: wavefunction(s)  3d renormalized

     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
 


     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=  SLA  PZ   NOGX NOGC
                           (   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=     2
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   1.0000000
        k(    2) = (   0.0000000   0.0000000   0.7300000), wk =   1.0000000

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

     Estimated max dynamical RAM per process >       0.98 MB

     Estimated total dynamical RAM >       3.91 MB

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

     Starting wfcs are   18 randomized atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-12,  avg # of iterations = 14.0

     total cpu time spent up to now is        0.2 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 0.0000 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

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

     Writing output data file /group2/jmlim/program/qe-dev-dvscf/tempdir/diam.save/
 
     init_run     :      0.01s CPU      0.01s WALL (       1 calls)
     electrons    :      0.07s CPU      0.08s WALL (       1 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       1 calls)
     potinit      :      0.00s CPU      0.00s WALL (       1 calls)
     hinit0       :      0.01s CPU      0.01s WALL (       1 calls)

     Called by electrons:
     c_bands      :      0.07s CPU      0.08s WALL (       1 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (       1 calls)

     Called by c_bands:
     init_us_2    :      0.00s CPU      0.00s WALL (       2 calls)
     cegterg      :      0.07s CPU      0.07s WALL (       2 calls)

     Called by *egterg:
     cdiaghg      :      0.02s CPU      0.02s WALL (      30 calls)
     h_psi        :      0.04s CPU      0.04s WALL (      32 calls)
     g_psi        :      0.00s CPU      0.00s WALL (      28 calls)

     Called by h_psi:
     h_psi:calbec :      0.00s CPU      0.00s WALL (      32 calls)
     vloc_psi     :      0.04s CPU      0.04s WALL (      32 calls)
     add_vuspsi   :      0.00s CPU      0.00s WALL (      32 calls)

     General routines
     calbec       :      0.00s CPU      0.00s WALL (      32 calls)
     fft          :      0.00s CPU      0.00s WALL (       3 calls)
     fftw         :      0.04s CPU      0.04s WALL (     644 calls)
     davcio       :      0.00s CPU      0.00s WALL (       4 calls)
 
     Parallel routines
     fft_scatt_xy :      0.00s CPU      0.00s WALL (     647 calls)
     fft_scatt_yz :      0.01s CPU      0.01s WALL (     647 calls)
 
     PWSCF        :      0.19s CPU      0.20s WALL

 
   This run was terminated on:  17:37:33  14Apr2020            

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