
     Program PWSCF v.6.1 (svn rev. 13591M) starts on 12Jul2017 at 10:15:45 

     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

     Serial version
     Reading input from scf-2.in

     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/giannozz/trunk/espresso/test-suite/..//tempdir/pwscf.save/


     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum         163     163     61                 1459     1459     307



     bravais-lattice index     =            2
     lattice parameter (alat)  =      10.2000  a.u.
     unit-cell volume          =     265.3020 (a.u.)^3
     number of atoms/cell      =            2
     number of atomic types    =            1
     number of electrons       =         8.00
     number of Kohn-Sham states=            8
     kinetic-energy cutoff     =      12.0000  Ry
     charge density cutoff     =      48.0000  Ry
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=  10.200000  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:
     /home/giannozz/trunk/espresso/test-suite/..//pseudo/Si.pz-vbc.UPF
     MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
     Pseudo is Norm-conserving, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  431 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   1

     atomic species   valence    mass     pseudopotential
        Si             4.00    28.08600     Si( 1.00)

     24 Sym. Ops. (no inversion) found
          (note: 24 additional sym.ops. were found but ignored
           their fractional translations are incommensurate with FFT grid)


   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=    10
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.1250000   0.1250000   0.1250000), wk =   0.0625000
        k(    2) = (   0.1250000   0.1250000   0.3750000), wk =   0.1875000
        k(    3) = (   0.1250000   0.1250000   0.6250000), wk =   0.1875000
        k(    4) = (   0.1250000   0.1250000   0.8750000), wk =   0.1875000
        k(    5) = (   0.1250000   0.3750000   0.3750000), wk =   0.1875000
        k(    6) = (   0.1250000   0.3750000   0.6250000), wk =   0.3750000
        k(    7) = (   0.1250000   0.3750000   0.8750000), wk =   0.3750000
        k(    8) = (   0.1250000   0.6250000   0.6250000), wk =   0.1875000
        k(    9) = (   0.3750000   0.3750000   0.3750000), wk =   0.0625000
        k(   10) = (   0.3750000   0.3750000   0.6250000), wk =   0.1875000

     Dense  grid:     1459 G-vectors     FFT dimensions: (  15,  15,  15)

     Estimated max dynamical RAM per process >       0.79 MB

     The potential is recalculated from file :
     /home/giannozz/trunk/espresso/test-suite/..//tempdir/pwscf.save/charge-density.dat

     Starting wfc are    8 randomized atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap

     ethr =  1.25E-08,  avg # of iterations = 13.0

     total cpu time spent up to now is        0.3 secs

     End of band structure calculation

          k = 0.1250 0.1250 0.1250 (   172 PWs)   bands (ev):

    -5.4706   4.7382   6.0279   6.0279   8.8974   9.3395   9.3395  11.1523

          k = 0.1250 0.1250 0.3750 (   180 PWs)   bands (ev):

    -4.9390   3.1208   4.9509   5.0618   8.4665  10.1046  10.8682  11.1190

          k = 0.1250 0.1250 0.6250 (   186 PWs)   bands (ev):

    -3.8735   1.4228   3.5622   4.0290   7.6390   9.1995  12.3955  12.7019

          k = 0.1250 0.1250 0.8750 (   192 PWs)   bands (ev):

    -2.3492  -0.4822   2.7535   3.5416   7.1512   8.2502  14.7060  14.7522

          k = 0.1250 0.3750 0.3750 (   187 PWs)   bands (ev):

    -4.4237   1.6761   3.9439   5.5190   9.0810  10.0402  10.2089  12.6374

          k = 0.1250 0.3750 0.6250 (   188 PWs)   bands (ev):

    -3.4357   0.4677   2.9038   4.3187   9.2003   9.9002  11.3756  12.3445

          k = 0.1250 0.3750 0.8750 (   189 PWs)   bands (ev):

    -2.1560  -0.5888   2.1105   3.2455   8.6854  10.6099  11.6524  13.8332

          k = 0.1250 0.6250 0.6250 (   184 PWs)   bands (ev):

    -2.6862  -0.3462   2.2032   4.3656   8.1405  11.8301  11.8827  13.3481

          k = 0.3750 0.3750 0.3750 (   183 PWs)   bands (ev):

    -3.9543   0.3153   5.1954   5.1954   8.0460   9.8187   9.8187  14.0525

          k = 0.3750 0.3750 0.6250 (   182 PWs)   bands (ev):

    -3.1964  -0.5070   3.9935   4.6986   8.5444   9.8721  10.4853  13.7251

     highest occupied, lowest unoccupied level (ev):     6.0279    7.1512

     Writing output data file pwscf.save

     init_run     :      0.03s CPU      0.03s WALL (       1 calls)
     electrons    :      0.13s CPU      0.14s 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      :      0.13s CPU      0.14s 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 (      10 calls)
     cegterg      :      0.12s CPU      0.12s WALL (      10 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :      0.08s CPU      0.07s WALL (     150 calls)
     g_psi        :      0.00s CPU      0.00s WALL (     130 calls)
     cdiaghg      :      0.02s CPU      0.03s WALL (     140 calls)

     Called by h_psi:
     h_psi:pot    :      0.08s CPU      0.07s WALL (     150 calls)
     h_psi:calbec :      0.01s CPU      0.00s WALL (     150 calls)
     vloc_psi     :      0.07s CPU      0.07s WALL (     150 calls)
     add_vuspsi   :      0.00s CPU      0.00s WALL (     150 calls)

     General routines
     calbec       :      0.01s CPU      0.00s WALL (     150 calls)
     fft          :      0.00s CPU      0.00s WALL (       4 calls)
     fftw         :      0.07s CPU      0.06s WALL (    1618 calls)
     davcio       :      0.00s CPU      0.00s WALL (      20 calls)


     PWSCF        :     0.37s CPU         0.39s WALL


   This run was terminated on:  10:15:45  12Jul2017            

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