
     Program PWSCF v.6.0 (svn rev. 13286) starts on  7Feb2017 at 15:26:20 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     2 processors
     R & G space division:  proc/nbgrp/npool/nimage =       2
     Waiting for input...
     Reading input from standard input
     Message from routine read_cards :
     DEPRECATED: no units specified in ATOMIC_POSITIONS card
     Message from routine read_cards :
     ATOMIC_POSITIONS: units set to alat

     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:
     /home/pietro/espresso-svn/tempdir/ni.save/

               file Ni.pz-nd-rrkjus.UPF: wavefunction(s)  4S 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         210      69     27                 2799      533     141
     Max         211      70     28                 2802      534     142
     Sum         421     139     55                 5601     1067     283



     bravais-lattice index     =            2
     lattice parameter (alat)  =       6.4800  a.u.
     unit-cell volume          =      68.0244 (a.u.)^3
     number of atoms/cell      =            1
     number of atomic types    =            1
     number of electrons       =        10.00
     number of Kohn-Sham states=            8
     kinetic-energy cutoff     =      24.0000  Ry
     charge density cutoff     =     288.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   6.480000  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 Ni read from file:
     /home/pietro/espresso-svn/pseudo/Ni.pz-nd-rrkjus.UPF
     MD5 check sum: bf64e4f20c74808dea28321d1ca350c3
     Pseudo is Ultrasoft + core correction, Zval = 10.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of 1203 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        Ni            10.00    58.69000     Ni( 1.00)

     48 Sym. Ops., with inversion, found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Ni  tau(   1) = (   0.0000000   0.0000000   0.0000000  )

     number of k points=   145 (tetrahedron method)

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

     Dense  grid:     5601 G-vectors     FFT dimensions: (  25,  25,  25)

     Smooth grid:     1067 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       1.00MB

     Estimated total allocated dynamical RAM >       2.00MB

     Check: negative/imaginary core charge=   -0.000015    0.000000

     The potential is recalculated from file :
     /home/pietro/espresso-svn/tempdir/ni.save/charge-density.dat

     Starting wfc are    6 randomized atomic wfcs +    2 random wfc

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.00E-12,  avg # of iterations = 18.2

     total cpu time spent up to now is        2.9 secs

     End of band structure calculation

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

     the Fermi energy is    15.0928 ev

     Writing output data file ni.save

     init_run     :      0.42s CPU      0.42s WALL (       1 calls)
     electrons    :      1.35s CPU      1.41s 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)

     Called by electrons:
     c_bands      :      1.08s CPU      1.14s WALL (       1 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (       1 calls)
     newd         :      0.01s CPU      0.01s WALL (       1 calls)

     Called by c_bands:
     init_us_2    :      0.00s CPU      0.00s WALL (     145 calls)
     cegterg      :      1.01s CPU      1.07s WALL (     184 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :      0.49s CPU      0.49s WALL (    2974 calls)
     s_psi        :      0.04s CPU      0.04s WALL (    2974 calls)
     g_psi        :      0.00s CPU      0.00s WALL (    2645 calls)
     cdiaghg      :      0.36s CPU      0.39s WALL (    2790 calls)

     Called by h_psi:
     h_psi:pot    :      0.48s CPU      0.48s WALL (    2974 calls)
     h_psi:calbec :      0.06s CPU      0.04s WALL (    2974 calls)
     vloc_psi     :      0.38s CPU      0.39s WALL (    2974 calls)
     add_vuspsi   :      0.03s CPU      0.04s WALL (    2974 calls)

     General routines
     calbec       :      0.05s CPU      0.04s WALL (    2974 calls)
     fft          :      0.00s CPU      0.00s WALL (       6 calls)
     ffts         :      0.00s CPU      0.00s WALL (       1 calls)
     fftw         :      0.30s CPU      0.30s WALL (   29006 calls)
     interpolate  :      0.00s CPU      0.00s WALL (       1 calls)
     davcio       :      0.00s CPU      0.00s WALL (     145 calls)

     Parallel routines
     fft_scatter  :      0.06s CPU      0.08s WALL (   29013 calls)

     PWSCF        :     2.89s CPU         2.97s WALL


   This run was terminated on:  15:26:23   7Feb2017            

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