
     Program PWSCF v.6.3 starts on 29Aug2018 at 11:16:59 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on     1 processors

     MPI processes distributed on     1 nodes
     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:
     ./si.save/


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


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         151     151     61                 1139     1139     331



     bravais-lattice index     =            2
     lattice parameter (alat)  =      10.2620  a.u.
     unit-cell volume          =     270.1693 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=           10
     kinetic-energy cutoff     =      10.0000  Ry
     charge density cutoff     =      40.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=  10.262000  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 Si read from file:
     ./Si_r.upf
     MD5 check sum: c84abb4b0aac9c93a8e9f74896432a0a
     Pseudo is Norm-conserving + core correction, Zval =  4.0
     Generated using ONCVPSP code by D. R. Hamann
     Using radial grid of 1528 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2

     atomic species   valence    mass     pseudopotential
        Si             4.00    28.08550     Si( 1.00)

     48 Sym. Ops., with inversion, found (24 have fractional translation)



   Cartesian axes

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

     number of k points=   216

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

     Dense  grid:     1139 G-vectors     FFT dimensions: (  16,  16,  16)

     Estimated max dynamical RAM per process >       1.41 MB

     The potential is recalculated from file :
     ./si.save/charge-density

     Starting wfcs are    8 randomized atomic wfcs +    2 random wfcs

     Band Structure Calculation
     CG style diagonalization

     ethr =  1.25E-15,  avg # of iterations = 35.1

     total cpu time spent up to now is        6.7 secs

     End of band structure calculation

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

     highest occupied, lowest unoccupied level (ev):     6.2555    7.1119

     Writing output data file si.save/

     init_run     :      0.03s CPU      0.03s WALL (       1 calls)
     electrons    :     11.22s CPU      6.51s 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       :      0.02s CPU      0.03s WALL (       1 calls)

     Called by electrons:
     c_bands      :     11.22s CPU      6.51s WALL (       1 calls)
     v_of_rho     :      0.00s CPU      0.00s WALL (       1 calls)

     Called by c_bands:
     init_us_2    :      0.02s CPU      0.01s WALL (     216 calls)
     ccgdiagg     :     10.41s CPU      6.04s WALL (     632 calls)
     wfcrot       :      0.76s CPU      0.44s WALL (     632 calls)

     Called by sum_band:

     Called by *cgdiagg:
     h_psi        :      8.97s CPU      5.14s WALL (   70431 calls)
     cdiaghg      :      0.16s CPU      0.10s WALL (     632 calls)

     Called by h_psi:
     h_psi:pot    :      8.82s CPU      5.05s WALL (   70431 calls)
     h_psi:calbec :      0.93s CPU      0.65s WALL (   70431 calls)
     vloc_psi     :      6.13s CPU      3.43s WALL (   70431 calls)
     add_vuspsi   :      1.47s CPU      0.83s WALL (   70431 calls)
     hs_1psi      :      8.82s CPU      5.06s WALL (   69799 calls)
     s_1psi       :      0.83s CPU      0.55s WALL (   69799 calls)

     General routines
     calbec       :      1.32s CPU      0.96s WALL (  140230 calls)
     fft          :      0.00s CPU      0.00s WALL (      11 calls)
     fftw         :      5.16s CPU      2.89s WALL (  152238 calls)
     davcio       :      0.01s CPU      0.01s WALL (     432 calls)

     Parallel routines

     PWSCF        :     11.49s CPU      6.73s WALL


   This run was terminated on:  11:17: 6  29Aug2018            

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