Program PROJWFC v.6.0 (svn rev. 13286) starts on  8Feb2017 at 10:10:27 

     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

     Reading data from directory:
     /home/pietro/espresso-svn/tempdir/H2.save

   Info: using nr1, nr2, nr3 values from input

   Info: using nr1, nr2, nr3 values from input

     IMPORTANT: XC functional enforced from input :
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)
     Any further DFT definition will be discarded
     Please, verify this is what you really want


    ============================================================
    |  pseudopotential report for atomic species:  1           |
    |        pseudo potential version   7   3   2              |
    ------------------------------------------------------------
    |  hydrogen            PBE                  exchange-corr  |
    |  z =   1.    zv( 1) =   1.    exfact =   5.00000         |
    |  ifpcor =  0           atomic energy =  -0.91772 Ry      |
    |  index    orbital      occupation    energy              |
    |    1        100           1.00       -0.48               |
    |  rinner =  0.5000                                        |
    |    new generation scheme:                                |
    |    nbeta =  1     kkbeta =  271     rcloc =    0.6000    |
    |    ibeta    l     epsilon   rcut                         |
    |      1       0      -0.48   0.80                         |
    ============================================================

     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         152     152     44                 4138     4138     602
     Max         153     153     45                 4141     4141     603
     Sum         305     305     89                 8279     8279    1205


     negative rho (up, down):  5.691E-03 0.000E+00

     Gaussian broadening (read from input): ngauss,degauss=   0    0.014700


     Calling projwave .... 

     Atomic states used for projection
     (read from pseudopotential files):

     state #   1: atom   1 (H  ), wfc  1 (l=0 m= 1)
     state #   2: atom   2 (H  ), wfc  1 (l=0 m= 1)

 k =   0.0000000000  0.0000000000  0.0312500000
==== e(   1) =   -10.19329 eV ==== 
     psi = 0.476*[#   1]+0.476*[#   2]+
    |psi|^2 = 0.952
==== e(   2) =    -0.84105 eV ==== 
     psi = 0.114*[#   1]+0.114*[#   2]+
    |psi|^2 = 0.227
==== e(   3) =    -0.43002 eV ==== 
     psi = 0.217*[#   1]+0.217*[#   2]+
    |psi|^2 = 0.434
==== e(   4) =     2.80941 eV ==== 
     psi = 0.015*[#   1]+0.015*[#   2]+
    |psi|^2 = 0.030
==== e(   5) =     5.73128 eV ==== 
     psi = 0.125*[#   1]+0.125*[#   2]+
    |psi|^2 = 0.249

 k =   0.0000000000  0.0000000000  0.0937500000
==== e(   1) =   -10.19400 eV ==== 
     psi = 0.476*[#   1]+0.476*[#   2]+
    |psi|^2 = 0.952
==== e(   2) =    -1.12404 eV ==== 
     psi = 0.177*[#   1]+0.177*[#   2]+
    |psi|^2 = 0.354
==== e(   3) =    -0.01050 eV ==== 
     psi = 0.141*[#   1]+0.141*[#   2]+
    |psi|^2 = 0.281
==== e(   4) =     2.68990 eV ==== 
     psi = 0.046*[#   1]+0.046*[#   2]+
    |psi|^2 = 0.092
==== e(   5) =     5.50648 eV ==== 
     psi = 0.085*[#   1]+0.085*[#   2]+
    |psi|^2 = 0.169

 k =   0.0000000000  0.0000000000  0.1562500000
==== e(   1) =   -10.19451 eV ==== 
     psi = 0.476*[#   1]+0.476*[#   2]+
    |psi|^2 = 0.952
==== e(   2) =    -1.32425 eV ==== 
     psi = 0.201*[#   1]+0.201*[#   2]+
    |psi|^2 = 0.401
==== e(   3) =     0.43000 eV ==== 
     psi = 0.087*[#   1]+0.087*[#   2]+
    |psi|^2 = 0.173
==== e(   4) =     2.46424 eV ==== 
     psi = 0.104*[#   1]+0.104*[#   2]+
    |psi|^2 = 0.208
==== e(   5) =     5.25161 eV ==== 
     psi = 0.037*[#   1]+0.037*[#   2]+
    |psi|^2 = 0.074

 k =   0.0000000000  0.0000000000  0.2187500000
==== e(   1) =   -10.19423 eV ==== 
     psi = 0.476*[#   1]+0.476*[#   2]+
    |psi|^2 = 0.952
==== e(   2) =    -1.42641 eV ==== 
     psi = 0.211*[#   1]+0.211*[#   2]+
    |psi|^2 = 0.423
==== e(   3) =     0.76769 eV ==== 
     psi = 0.031*[#   1]+0.031*[#   2]+
    |psi|^2 = 0.062
==== e(   4) =     2.23199 eV ==== 
     psi = 0.170*[#   1]+0.170*[#   2]+
    |psi|^2 = 0.340
==== e(   5) =     5.10349 eV ==== 
     psi = 0.006*[#   1]+0.006*[#   2]+
    |psi|^2 = 0.012

Lowdin Charges: 

     Atom #   1: total charge =   0.9517, s =  0.9517, 
     Atom #   2: total charge =   0.9517, s =  0.9517, 
     Spilling Parameter:   0.0483

     PROJWFC      :     0.05s CPU         0.06s WALL


   This run was terminated on:  10:10:27   8Feb2017            

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