
.Version 7.11.6 of ABINIT 
.(MPI version, prepared for a x86_64_linux_intel14.0 computer) 

.Copyright (C) 1998-2015 ABINIT group . 
 ABINIT comes with ABSOLUTELY NO WARRANTY.
 It is free software, and you are welcome to redistribute it
 under certain conditions (GNU General Public License,
 see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).

 ABINIT is a project of the Universite Catholique de Louvain,
 Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .
 Please read ~abinit/doc/users/acknowledgments.html for suggested
 acknowledgments of the ABINIT effort.
 For more information, see http://www.abinit.org .

.Starting date : Thu 28 Apr 2016.
- ( at 16h44 )
  
- input  file    -> in
- output file    -> out
- root for input  files -> i
- root for output files -> o
 
 
 Symmetries : space group Fd -3 m (#227); Bravais cF (face-center cubic)
================================================================================
 Values of the parameters that define the memory need of the present run
   intxc =         0  ionmov =         0    iscf =        -3 xclevel =         1
  lmnmax =         4   lnmax =         4   mband =         5  mffmem =         1
P  mgfft =        30   mkmem =      1000 mpssoang=         4     mpw =      1177
  mqgrid =      3001   natom =         2    nfft =     27000    nkpt =      1000
  nloalg =         4  nspden =         1 nspinor =         1  nsppol =         1
    nsym =        48  n1xccc =         0  ntypat =         1  occopt =         1
================================================================================
P This job should need less than                     108.920 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
_ WF disk file :     89.800 Mbytes ; DEN or POT disk file :      0.208 Mbytes.
================================================================================
 
--------------------------------------------------------------------------------
------------- Echo of variables that govern the present computation ------------
--------------------------------------------------------------------------------
-
- outvars: echo of selected default values                                      
-   accesswff0 =  0 , fftalg0 =312 , wfoptalg0 =  0
-
- outvars: echo of global parameters not present in the input file              
-  max_nthreads =    0
-
 -outvars: echo values of preprocessed input variables --------
            acell      1.0261200000E+01  1.0261200000E+01  1.0261200000E+01 Bohr
              amu      2.80855000E+01
      chksymbreak           0
             ecut      2.00000000E+01 Hartree
-          fftalg         312
           irdden           1
             iscf          -3
              ixc           7
              kpt      4.70000000E-02  3.70000000E-02  3.20000000E-02
                       4.70000000E-02  3.70000000E-02  1.32000000E-01
                       4.70000000E-02  3.70000000E-02  2.32000000E-01
                       4.70000000E-02  3.70000000E-02  3.32000000E-01
                       4.70000000E-02  3.70000000E-02  4.32000000E-01
                       4.70000000E-02  3.70000000E-02  5.32000000E-01
                       4.70000000E-02  3.70000000E-02  6.32000000E-01
                       4.70000000E-02  3.70000000E-02  7.32000000E-01
                       4.70000000E-02  3.70000000E-02  8.32000000E-01
                       4.70000000E-02  3.70000000E-02  9.32000000E-01
                       4.70000000E-02  1.37000000E-01  3.20000000E-02
                       4.70000000E-02  1.37000000E-01  1.32000000E-01
                       4.70000000E-02  1.37000000E-01  2.32000000E-01
                       4.70000000E-02  1.37000000E-01  3.32000000E-01
                       4.70000000E-02  1.37000000E-01  4.32000000E-01
                       4.70000000E-02  1.37000000E-01  5.32000000E-01
                       4.70000000E-02  1.37000000E-01  6.32000000E-01
                       4.70000000E-02  1.37000000E-01  7.32000000E-01
                       4.70000000E-02  1.37000000E-01  8.32000000E-01
                       4.70000000E-02  1.37000000E-01  9.32000000E-01
                       4.70000000E-02  2.37000000E-01  3.20000000E-02
                       4.70000000E-02  2.37000000E-01  1.32000000E-01
                       4.70000000E-02  2.37000000E-01  2.32000000E-01
                       4.70000000E-02  2.37000000E-01  3.32000000E-01
                       4.70000000E-02  2.37000000E-01  4.32000000E-01
                       4.70000000E-02  2.37000000E-01  5.32000000E-01
                       4.70000000E-02  2.37000000E-01  6.32000000E-01
                       4.70000000E-02  2.37000000E-01  7.32000000E-01
                       4.70000000E-02  2.37000000E-01  8.32000000E-01
                       4.70000000E-02  2.37000000E-01  9.32000000E-01
                       4.70000000E-02  3.37000000E-01  3.20000000E-02
                       4.70000000E-02  3.37000000E-01  1.32000000E-01
                       4.70000000E-02  3.37000000E-01  2.32000000E-01
                       4.70000000E-02  3.37000000E-01  3.32000000E-01
                       4.70000000E-02  3.37000000E-01  4.32000000E-01
                       4.70000000E-02  3.37000000E-01  5.32000000E-01
                       4.70000000E-02  3.37000000E-01  6.32000000E-01
                       4.70000000E-02  3.37000000E-01  7.32000000E-01
                       4.70000000E-02  3.37000000E-01  8.32000000E-01
                       4.70000000E-02  3.37000000E-01  9.32000000E-01
                       4.70000000E-02  4.37000000E-01  3.20000000E-02
                       4.70000000E-02  4.37000000E-01  1.32000000E-01
                       4.70000000E-02  4.37000000E-01  2.32000000E-01
                       4.70000000E-02  4.37000000E-01  3.32000000E-01
                       4.70000000E-02  4.37000000E-01  4.32000000E-01
                       4.70000000E-02  4.37000000E-01  5.32000000E-01
                       4.70000000E-02  4.37000000E-01  6.32000000E-01
                       4.70000000E-02  4.37000000E-01  7.32000000E-01
                       4.70000000E-02  4.37000000E-01  8.32000000E-01
                       4.70000000E-02  4.37000000E-01  9.32000000E-01
                       outvar_i_n : Printing only first  50 k-points.
           kptopt           0
P           mkmem        1000
            natom           2
            nband           5
           nbdbuf           1
            ngfft          30      30      30
             nkpt        1000
            nline           6
             nsym          48
           ntypat           1
              occ      2.000000  2.000000  2.000000  2.000000  0.000000
           prtden           0
            rprim      0.0000000000E+00  5.0000000000E-01  5.0000000000E-01
                       5.0000000000E-01  0.0000000000E+00  5.0000000000E-01
                       5.0000000000E-01  5.0000000000E-01  0.0000000000E+00
          spgroup         227
           symrel      1  0  0   0  1  0   0  0  1      -1  0  0   0 -1  0   0  0 -1
                       0 -1  1   0 -1  0   1 -1  0       0  1 -1   0  1  0  -1  1  0
                      -1  0  0  -1  0  1  -1  1  0       1  0  0   1  0 -1   1 -1  0
                       0  1 -1   1  0 -1   0  0 -1       0 -1  1  -1  0  1   0  0  1
                      -1  0  0  -1  1  0  -1  0  1       1  0  0   1 -1  0   1  0 -1
                       0 -1  1   1 -1  0   0 -1  0       0  1 -1  -1  1  0   0  1  0
                       1  0  0   0  0  1   0  1  0      -1  0  0   0  0 -1   0 -1  0
                       0  1 -1   0  0 -1   1  0 -1       0 -1  1   0  0  1  -1  0  1
                      -1  0  1  -1  1  0  -1  0  0       1  0 -1   1 -1  0   1  0  0
                       0 -1  0   1 -1  0   0 -1  1       0  1  0  -1  1  0   0  1 -1
                       1  0 -1   0  0 -1   0  1 -1      -1  0  1   0  0  1   0 -1  1
                       0  1  0   0  0  1   1  0  0       0 -1  0   0  0 -1  -1  0  0
                       1  0 -1   0  1 -1   0  0 -1      -1  0  1   0 -1  1   0  0  1
                       0 -1  0   0 -1  1   1 -1  0       0  1  0   0  1 -1  -1  1  0
                      -1  0  1  -1  0  0  -1  1  0       1  0 -1   1  0  0   1 -1  0
                       0  1  0   1  0  0   0  0  1       0 -1  0  -1  0  0   0  0 -1
                       0  0 -1   0  1 -1   1  0 -1       0  0  1   0 -1  1  -1  0  1
                       1 -1  0   0 -1  1   0 -1  0      -1  1  0   0  1 -1   0  1  0
                       0  0  1   1  0  0   0  1  0       0  0 -1  -1  0  0   0 -1  0
                      -1  1  0  -1  0  0  -1  0  1       1 -1  0   1  0  0   1  0 -1
                       0  0  1   0  1  0   1  0  0       0  0 -1   0 -1  0  -1  0  0
                       1 -1  0   0 -1  0   0 -1  1      -1  1  0   0  1  0   0  1 -1
                       0  0 -1   1  0 -1   0  1 -1       0  0  1  -1  0  1   0 -1  1
                      -1  1  0  -1  0  1  -1  0  0       1 -1  0   1  0 -1   1  0  0
            tnons      0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
           tolwfr      1.00000000E-13
            typat      1  1
              wtk        0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100
                       outvars : Printing only first  50 k-points.
           xangst     -6.7874914660E-01 -6.7874914660E-01 -6.7874914660E-01
                       6.7874914660E-01  6.7874914660E-01  6.7874914660E-01
            xcart     -1.2826500000E+00 -1.2826500000E+00 -1.2826500000E+00
                       1.2826500000E+00  1.2826500000E+00  1.2826500000E+00
             xred     -1.2500000000E-01 -1.2500000000E-01 -1.2500000000E-01
                       1.2500000000E-01  1.2500000000E-01  1.2500000000E-01
            znucl       14.00000
 
================================================================================
 
 chkinp: Checking input parameters for consistency.
 
================================================================================
== DATASET  1 ==================================================================
-   nproc =    1
 
 Exchange-correlation functional for the present dataset will be:
  LDA: Perdew-Wang 92 LSD fit to Ceperley-Alder data - ixc=7
 Citation for XC functional:
  J.P.Perdew and Y.Wang, PRB 45, 13244 (1992)
 
 Real(R)+Recip(G) space primitive vectors, cartesian coordinates (Bohr,Bohr^-1):
 R(1)=  0.0000000  5.1306000  5.1306000  G(1)= -0.0974545  0.0974545  0.0974545
 R(2)=  5.1306000  0.0000000  5.1306000  G(2)=  0.0974545 -0.0974545  0.0974545
 R(3)=  5.1306000  5.1306000  0.0000000  G(3)=  0.0974545  0.0974545 -0.0974545
 Unit cell volume ucvol=  2.7010615E+02 bohr^3
 Angles (23,13,12)=  6.00000000E+01  6.00000000E+01  6.00000000E+01 degrees
 
 getcut: wavevector=  0.0000  0.0000  0.0000  ngfft=  30  30  30
         ecut(hartree)=     20.000   => boxcut(ratio)=   2.05608
 
--- Pseudopotential description ------------------------------------------------
- pspini: atom type   1  psp file is 14-Si.LDA.fhi
- pspatm: opening atomic psp file    14-Si.LDA.fhi
- silicon, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder Perdew/Wang (1992), l= 2 local
- 14.00000   4.00000     21003                znucl, zion, pspdat
    6    7    3    2       495   0.00000      pspcod,pspxc,lmax,lloc,mmax,r2well
    0.00000000000000    0.00000000000000    0.00000000000000   rchrg,fchrg,qchrg
  1.024700          amesh (Hamman grid)
 pspatm: epsatm=   -1.09879859
         --- l  ekb(1:nproj) -->
             0    3.561079
             1    1.887246
             3   -1.290084
 pspatm: atomic psp has been read  and splines computed
 
--------------------------------------------------------------------------------
 
P newkpt: treating      5 bands with npw=    1166 for ikpt=   1 by node    0
P newkpt: treating      5 bands with npw=    1170 for ikpt=   2 by node    0
P newkpt: treating      5 bands with npw=    1162 for ikpt=   3 by node    0
P newkpt: treating      5 bands with npw=    1155 for ikpt=   4 by node    0
P newkpt: treating      5 bands with npw=    1156 for ikpt=   5 by node    0
P newkpt: treating      5 bands with npw=    1164 for ikpt=   6 by node    0
P newkpt: treating      5 bands with npw=    1157 for ikpt=   7 by node    0
P newkpt: treating      5 bands with npw=    1155 for ikpt=   8 by node    0
P newkpt: treating      5 bands with npw=    1164 for ikpt=   9 by node    0
P newkpt: treating      5 bands with npw=    1171 for ikpt=  10 by node    0
P newkpt: treating      5 bands with npw=    1169 for ikpt=  11 by node    0
P newkpt: treating      5 bands with npw=    1168 for ikpt=  12 by node    0
P newkpt: treating      5 bands with npw=    1163 for ikpt=  13 by node    0
P newkpt: treating      5 bands with npw=    1153 for ikpt=  14 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  15 by node    0
P newkpt: treating      5 bands with npw=    1156 for ikpt=  16 by node    0
P newkpt: treating      5 bands with npw=    1153 for ikpt=  17 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  18 by node    0
P newkpt: treating      5 bands with npw=    1152 for ikpt=  19 by node    0
P newkpt: treating      5 bands with npw=    1162 for ikpt=  20 by node    0
P newkpt: treating      5 bands with npw=    1161 for ikpt=  21 by node    0
P newkpt: treating      5 bands with npw=    1162 for ikpt=  22 by node    0
P newkpt: treating      5 bands with npw=    1155 for ikpt=  23 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  24 by node    0
P newkpt: treating      5 bands with npw=    1159 for ikpt=  25 by node    0
P newkpt: treating      5 bands with npw=    1148 for ikpt=  26 by node    0
P newkpt: treating      5 bands with npw=    1153 for ikpt=  27 by node    0
P newkpt: treating      5 bands with npw=    1153 for ikpt=  28 by node    0
P newkpt: treating      5 bands with npw=    1155 for ikpt=  29 by node    0
P newkpt: treating      5 bands with npw=    1152 for ikpt=  30 by node    0
P newkpt: treating      5 bands with npw=    1156 for ikpt=  31 by node    0
P newkpt: treating      5 bands with npw=    1155 for ikpt=  32 by node    0
P newkpt: treating      5 bands with npw=    1149 for ikpt=  33 by node    0
P newkpt: treating      5 bands with npw=    1148 for ikpt=  34 by node    0
P newkpt: treating      5 bands with npw=    1154 for ikpt=  35 by node    0
P newkpt: treating      5 bands with npw=    1152 for ikpt=  36 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  37 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  38 by node    0
P newkpt: treating      5 bands with npw=    1156 for ikpt=  39 by node    0
P newkpt: treating      5 bands with npw=    1148 for ikpt=  40 by node    0
P newkpt: treating      5 bands with npw=    1157 for ikpt=  41 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  42 by node    0
P newkpt: treating      5 bands with npw=    1159 for ikpt=  43 by node    0
P newkpt: treating      5 bands with npw=    1155 for ikpt=  44 by node    0
P newkpt: treating      5 bands with npw=    1157 for ikpt=  45 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  46 by node    0
P newkpt: treating      5 bands with npw=    1149 for ikpt=  47 by node    0
P newkpt: treating      5 bands with npw=    1153 for ikpt=  48 by node    0
P newkpt: treating      5 bands with npw=    1151 for ikpt=  49 by node    0
P newkpt: treating      5 bands with npw=    1157 for ikpt=  50 by node    0
 newkpt: prtvol=0 or 1, do not print more k-points.
 
 
================================================================================
 
     iter   Etot(hartree)      deltaE(h)  residm     vres2
 prteigrs : about to open file o_EIG
 Non-SCF case, kpt    1 (  0.04700  0.03700  0.03200), residuals and eigenvalues=
  6.48E-14  2.03E-14  7.72E-14  4.31E-14  6.75E-05
 -2.0979E-01  2.2042E-01  2.2658E-01  2.2839E-01  3.2428E-01
  prteigrs : nnsclo,ikpt=   30    1 max resid (incl. the buffer)=  6.75153E-05
 Non-SCF case, kpt    2 (  0.04700  0.03700  0.13200), residuals and eigenvalues=
  2.92E-14  1.35E-14  1.07E-14  4.24E-14  2.75E-05
 -2.0458E-01  1.8234E-01  2.1082E-01  2.2491E-01  3.2533E-01
  prteigrs : nnsclo,ikpt=   30    2 max resid (incl. the buffer)=  2.74893E-05
 Non-SCF case, kpt    3 (  0.04700  0.03700  0.23200), residuals and eigenvalues=
  8.96E-14  2.13E-14  8.08E-14  2.45E-14  8.25E-13
 -1.9000E-01  1.1515E-01  1.9503E-01  2.1241E-01  3.1218E-01
  prteigrs : nnsclo,ikpt=   30    3 max resid (incl. the buffer)=  8.25345E-13
 Non-SCF case, kpt    4 (  0.04700  0.03700  0.33200), residuals and eigenvalues=
  8.45E-14  3.93E-14  4.05E-14  5.68E-15  4.47E-14
 -1.6705E-01  5.0239E-02  1.8368E-01  1.9898E-01  2.9902E-01
 Non-SCF case, kpt    5 (  0.04700  0.03700  0.43200), residuals and eigenvalues=
  5.87E-14  6.50E-14  2.14E-14  1.88E-14  1.70E-14
 -1.3949E-01 -3.2340E-03  1.7805E-01  1.8890E-01  2.9052E-01
 Non-SCF case, kpt    6 (  0.04700  0.03700  0.53200), residuals and eigenvalues=
  4.52E-14  7.97E-14  9.80E-14  4.33E-14  3.09E-14
 -1.2388E-01 -2.7135E-02  1.7809E-01  1.8374E-01  2.8782E-01
 Non-SCF case, kpt    7 (  0.04700  0.03700  0.63200), residuals and eigenvalues=
  7.29E-14  4.37E-14  9.15E-14  5.80E-14  3.76E-14
 -1.4163E-01  3.3358E-04  1.8205E-01  1.8557E-01  2.9112E-01
 Non-SCF case, kpt    8 (  0.04700  0.03700  0.73200), residuals and eigenvalues=
  3.16E-14  4.43E-14  6.10E-14  7.38E-14  5.00E-14
 -1.6913E-01  5.5118E-02  1.8853E-01  1.9544E-01  3.0011E-01
 Non-SCF case, kpt    9 (  0.04700  0.03700  0.83200), residuals and eigenvalues=
  2.67E-14  2.77E-14  5.21E-14  6.30E-14  1.08E-10
 -1.9149E-01  1.2063E-01  1.9995E-01  2.0924E-01  3.1323E-01
  prteigrs : nnsclo,ikpt=   30    9 max resid (incl. the buffer)=  1.07854E-10
 Non-SCF case, kpt   10 (  0.04700  0.03700  0.93200), residuals and eigenvalues=
  8.33E-15  3.29E-14  5.81E-14  5.24E-14  1.83E-07
 -2.0535E-01  1.8791E-01  2.1485E-01  2.2177E-01  3.2097E-01
  prteigrs : nnsclo,ikpt=   30   10 max resid (incl. the buffer)=  1.82827E-07
 Non-SCF case, kpt   11 (  0.04700  0.13700  0.03200), residuals and eigenvalues=
  8.50E-15  9.60E-15  3.49E-14  1.25E-14  2.08E-06
 -2.0394E-01  1.7828E-01  2.1041E-01  2.2378E-01  3.2402E-01
  prteigrs : nnsclo,ikpt=   30   11 max resid (incl. the buffer)=  2.08469E-06
 Non-SCF case, kpt   12 (  0.04700  0.13700  0.13200), residuals and eigenvalues=
  2.40E-14  9.98E-14  7.21E-14  1.98E-14  1.58E-11
 -2.0194E-01  1.7815E-01  2.0424E-01  2.0878E-01  3.0954E-01
  prteigrs : nnsclo,ikpt=   30   12 max resid (incl. the buffer)=  1.57779E-11
 Non-SCF case, kpt   13 (  0.04700  0.13700  0.23200), residuals and eigenvalues=
  1.49E-14  6.88E-14  4.71E-14  8.74E-15  7.21E-14
 -1.9045E-01  1.3310E-01  1.7785E-01  2.0131E-01  3.1019E-01
 Non-SCF case, kpt   14 (  0.04700  0.13700  0.33200), residuals and eigenvalues=
  9.31E-14  4.16E-14  8.63E-14  9.42E-14  3.29E-14
 -1.7013E-01  7.1274E-02  1.6191E-01  1.8788E-01  3.1701E-01
 Non-SCF case, kpt   15 (  0.04700  0.13700  0.43200), residuals and eigenvalues=
  2.42E-14  3.44E-14  4.83E-14  7.39E-14  6.02E-14
 -1.4331E-01  1.4688E-02  1.5201E-01  1.7657E-01  3.1345E-01
 Non-SCF case, kpt   16 (  0.04700  0.13700  0.53200), residuals and eigenvalues=
  3.41E-14  5.06E-14  7.03E-14  1.23E-14  1.79E-14
 -1.2023E-01 -2.2022E-02  1.4564E-01  1.7329E-01  3.1147E-01
 Non-SCF case, kpt   17 (  0.04700  0.13700  0.63200), residuals and eigenvalues=
  2.49E-14  9.15E-14  2.71E-14  3.93E-14  7.17E-13
 -1.2785E-01 -1.0762E-02  1.4309E-01  1.7883E-01  3.1449E-01
  prteigrs : nnsclo,ikpt=   30   17 max resid (incl. the buffer)=  7.17431E-13
 Non-SCF case, kpt   18 (  0.04700  0.13700  0.73200), residuals and eigenvalues=
  8.99E-14  2.12E-14  5.59E-14  1.42E-14  1.02E-11
 -1.5495E-01  3.6895E-02  1.4645E-01  1.9085E-01  3.2194E-01
  prteigrs : nnsclo,ikpt=   30   18 max resid (incl. the buffer)=  1.02232E-11
 Non-SCF case, kpt   19 (  0.04700  0.13700  0.83200), residuals and eigenvalues=
  2.77E-14  7.82E-14  2.24E-14  6.13E-15  2.97E-08
 -1.7957E-01  9.6447E-02  1.5802E-01  2.0573E-01  3.3006E-01
  prteigrs : nnsclo,ikpt=   30   19 max resid (incl. the buffer)=  2.96819E-08
 Non-SCF case, kpt   20 (  0.04700  0.13700  0.93200), residuals and eigenvalues=
  1.36E-14  2.92E-14  1.11E-14  5.56E-14  3.45E-10
 -1.9636E-01  1.5012E-01  1.8515E-01  2.1627E-01  3.2216E-01
  prteigrs : nnsclo,ikpt=   30   20 max resid (incl. the buffer)=  3.45426E-10
 Non-SCF case, kpt   21 (  0.04700  0.23700  0.03200), residuals and eigenvalues=
  9.34E-14  6.44E-14  5.50E-14  1.77E-14  1.80E-11
 -1.8875E-01  1.1065E-01  1.9504E-01  2.1088E-01  3.1090E-01
  prteigrs : nnsclo,ikpt=   30   21 max resid (incl. the buffer)=  1.80145E-11
 Non-SCF case, kpt   22 (  0.04700  0.23700  0.13200), residuals and eigenvalues=
  4.91E-14  1.56E-14  7.87E-14  1.19E-14  2.72E-14
 -1.8983E-01  1.2959E-01  1.7760E-01  2.0211E-01  3.1258E-01
 Non-SCF case, kpt   23 (  0.04700  0.23700  0.23200), residuals and eigenvalues=
  3.31E-14  4.03E-14  2.44E-14  4.23E-14  4.23E-14
 -1.8144E-01  1.2056E-01  1.7064E-01  1.7205E-01  2.8233E-01
 Non-SCF case, kpt   24 (  0.04700  0.23700  0.33200), residuals and eigenvalues=
  3.05E-14  1.52E-14  3.76E-14  4.41E-14  4.41E-14
 -1.6398E-01  8.0146E-02  1.4562E-01  1.6267E-01  2.8525E-01
 Non-SCF case, kpt   25 (  0.04700  0.23700  0.43200), residuals and eigenvalues=
  1.97E-14  1.20E-14  7.79E-14  1.06E-14  2.13E-14
 -1.3890E-01  3.0691E-02  1.2364E-01  1.5335E-01  2.9455E-01
 Non-SCF case, kpt   26 (  0.04700  0.23700  0.53200), residuals and eigenvalues=
  1.94E-14  1.66E-14  5.30E-14  6.33E-14  7.56E-14
 -1.1213E-01 -1.0919E-02  1.0609E-01  1.5282E-01  2.9795E-01
 Non-SCF case, kpt   27 (  0.04700  0.23700  0.63200), residuals and eigenvalues=
  6.39E-14  1.84E-14  2.81E-14  5.27E-14  4.49E-14
 -1.0802E-01 -1.6302E-02  9.6005E-02  1.6089E-01  3.0697E-01
 Non-SCF case, kpt   28 (  0.04700  0.23700  0.73200), residuals and eigenvalues=
  2.87E-14  2.13E-14  3.52E-14  6.95E-14  7.70E-14
 -1.3276E-01  2.0046E-02  9.6868E-02  1.7551E-01  3.2261E-01
 Non-SCF case, kpt   29 (  0.04700  0.23700  0.83200), residuals and eigenvalues=
  5.15E-14  1.96E-14  2.81E-14  8.29E-14  7.88E-11
 -1.5896E-01  6.1298E-02  1.1809E-01  1.9276E-01  3.3872E-01
  prteigrs : nnsclo,ikpt=   30   29 max resid (incl. the buffer)=  7.88248E-11
 Non-SCF case, kpt   30 (  0.04700  0.23700  0.93200), residuals and eigenvalues=
  2.59E-14  3.66E-14  1.52E-14  8.67E-14  6.05E-12
 -1.7827E-01  8.8126E-02  1.6642E-01  2.0366E-01  3.2318E-01
  prteigrs : nnsclo,ikpt=   30   30 max resid (incl. the buffer)=  6.05112E-12
 Non-SCF case, kpt   31 (  0.04700  0.33700  0.03200), residuals and eigenvalues=
  5.85E-14  1.11E-14  2.57E-14  2.12E-14  9.64E-14
 -1.6533E-01  4.6198E-02  1.8405E-01  1.9765E-01  2.9797E-01
 Non-SCF case, kpt   32 (  0.04700  0.33700  0.13200), residuals and eigenvalues=
  3.79E-14  3.64E-14  2.03E-14  2.09E-14  2.95E-14
 -1.6897E-01  6.7237E-02  1.6249E-01  1.8843E-01  3.1749E-01
 Non-SCF case, kpt   33 (  0.04700  0.33700  0.23200), residuals and eigenvalues=
  5.57E-14  4.30E-14  3.49E-14  2.97E-14  7.63E-14
 -1.6341E-01  7.8000E-02  1.4476E-01  1.6322E-01  2.8774E-01
 Non-SCF case, kpt   34 (  0.04700  0.33700  0.33200), residuals and eigenvalues=
  4.85E-14  3.17E-14  7.58E-14  1.98E-14  7.11E-14
 -1.4880E-01  5.7757E-02  1.4195E-01  1.4551E-01  2.6086E-01
 Non-SCF case, kpt   35 (  0.04700  0.33700  0.43200), residuals and eigenvalues=
  3.01E-14  2.68E-14  8.28E-14  6.86E-14  6.05E-14
 -1.2600E-01  2.2993E-02  1.2168E-01  1.3548E-01  2.6841E-01
 Non-SCF case, kpt   36 (  0.04700  0.33700  0.53200), residuals and eigenvalues=
  2.80E-14  5.79E-14  2.66E-14  7.54E-14  4.63E-14
 -9.8339E-02 -1.1722E-02  9.1210E-02  1.3462E-01  2.7634E-01
 Non-SCF case, kpt   37 (  0.04700  0.33700  0.63200), residuals and eigenvalues=
  4.92E-14  4.72E-14  4.97E-14  8.93E-14  7.41E-14
 -8.4456E-02 -2.6562E-02  7.0898E-02  1.4243E-01  2.8561E-01
 Non-SCF case, kpt   38 (  0.04700  0.33700  0.73200), residuals and eigenvalues=
  1.89E-14  5.82E-14  3.67E-14  8.87E-14  3.71E-14
 -1.0568E-01 -5.0691E-03  7.2231E-02  1.5735E-01  3.0259E-01
 Non-SCF case, kpt   39 (  0.04700  0.33700  0.83200), residuals and eigenvalues=
  8.78E-14  2.96E-14  2.66E-14  2.17E-14  5.73E-14
 -1.3205E-01  1.3818E-02  1.0510E-01  1.7599E-01  3.2271E-01
 Non-SCF case, kpt   40 (  0.04700  0.33700  0.93200), residuals and eigenvalues=
  1.19E-14  9.56E-14  7.47E-14  2.98E-14  1.09E-13
 -1.5273E-01  2.8214E-02  1.5688E-01  1.8965E-01  3.1393E-01
  prteigrs : nnsclo,ikpt=   30   40 max resid (incl. the buffer)=  1.08516E-13
 Non-SCF case, kpt   41 (  0.04700  0.43700  0.03200), residuals and eigenvalues=
  8.94E-14  1.43E-14  1.62E-14  8.47E-14  4.87E-14
 -1.3779E-01 -6.1128E-03  1.7868E-01  1.8804E-01  2.8982E-01
 Non-SCF case, kpt   42 (  0.04700  0.43700  0.13200), residuals and eigenvalues=
  9.67E-14  4.35E-14  3.89E-14  4.31E-14  4.91E-12
 -1.4191E-01  1.1239E-02  1.5324E-01  1.7733E-01  3.1290E-01
  prteigrs : nnsclo,ikpt=   30   42 max resid (incl. the buffer)=  4.90919E-12
 Non-SCF case, kpt   43 (  0.04700  0.43700  0.23200), residuals and eigenvalues=
  1.96E-14  4.69E-14  4.01E-14  6.43E-14  2.98E-14
 -1.3793E-01  2.7822E-02  1.2365E-01  1.5417E-01  2.9602E-01
 Non-SCF case, kpt   44 (  0.04700  0.43700  0.33200), residuals and eigenvalues=
  2.39E-14  4.79E-14  3.11E-14  2.88E-14  6.11E-14
 -1.2552E-01  2.2234E-02  1.1960E-01  1.3591E-01  2.7035E-01
 Non-SCF case, kpt   45 (  0.04700  0.43700  0.43200), residuals and eigenvalues=
  4.49E-14  1.27E-14  5.26E-14  1.68E-14  1.69E-14
 -1.0500E-01 -5.2304E-03  1.2473E-01  1.2965E-01  2.5141E-01
 Non-SCF case, kpt   46 (  0.04700  0.43700  0.53200), residuals and eigenvalues=
  4.07E-14  2.73E-14  3.73E-14  2.05E-14  3.46E-14
 -7.8052E-02 -3.5177E-02  1.0959E-01  1.2317E-01  2.6251E-01
 Non-SCF case, kpt   47 (  0.04700  0.43700  0.63200), residuals and eigenvalues=
  9.52E-14  1.22E-14  5.79E-14  3.76E-14  3.91E-14
 -6.6482E-02 -4.3995E-02  8.1188E-02  1.2961E-01  2.7081E-01
 Non-SCF case, kpt   48 (  0.04700  0.43700  0.73200), residuals and eigenvalues=
  3.34E-14  5.20E-14  4.31E-14  3.60E-14  4.85E-14
 -8.8989E-02 -2.4139E-02  7.5980E-02  1.4370E-01  2.8720E-01
 Non-SCF case, kpt   49 (  0.04700  0.43700  0.83200), residuals and eigenvalues=
  6.83E-14  9.32E-14  4.58E-14  5.03E-14  5.88E-14
 -1.0967E-01 -1.9564E-02  1.0646E-01  1.6286E-01  3.0910E-01
 Non-SCF case, kpt   50 (  0.04700  0.43700  0.93200), residuals and eigenvalues=
  9.69E-14  1.87E-14  2.37E-14  5.54E-14  2.07E-14
 -1.2653E-01 -1.6472E-02  1.5385E-01  1.7980E-01  3.0791E-01
 prteigrs : prtvol=0 or 1, do not print more k-points.
 
  prteigrs : nnsclo,ikpt=   30   56 max resid (incl. the buffer)=  1.77587E-12
  prteigrs : nnsclo,ikpt=   30   62 max resid (incl. the buffer)=  9.85711E-13
  prteigrs : nnsclo,ikpt=   30   70 max resid (incl. the buffer)=  3.84815E-12
  prteigrs : nnsclo,ikpt=   30   72 max resid (incl. the buffer)=  5.82682E-13
  prteigrs : nnsclo,ikpt=   30   80 max resid (incl. the buffer)=  1.10014E-13
  prteigrs : nnsclo,ikpt=   30   81 max resid (incl. the buffer)=  1.79953E-12
  prteigrs : nnsclo,ikpt=   30   82 max resid (incl. the buffer)=  4.04890E-10
  prteigrs : nnsclo,ikpt=   30   83 max resid (incl. the buffer)=  1.11833E-09
  prteigrs : nnsclo,ikpt=   30   90 max resid (incl. the buffer)=  7.47588E-11
  prteigrs : nnsclo,ikpt=   30   91 max resid (incl. the buffer)=  3.80386E-07
  prteigrs : nnsclo,ikpt=   30   92 max resid (incl. the buffer)=  4.09966E-10
  prteigrs : nnsclo,ikpt=   30   93 max resid (incl. the buffer)=  1.96598E-12
  prteigrs : nnsclo,ikpt=   30   98 max resid (incl. the buffer)=  3.80503E-11
  prteigrs : nnsclo,ikpt=   30   99 max resid (incl. the buffer)=  4.24171E-09
  prteigrs : nnsclo,ikpt=   30  100 max resid (incl. the buffer)=  1.41215E-09
  prteigrs : nnsclo,ikpt=   30  101 max resid (incl. the buffer)=  1.03640E-06
  prteigrs : nnsclo,ikpt=   30  107 max resid (incl. the buffer)=  1.62899E-12
  prteigrs : nnsclo,ikpt=   30  108 max resid (incl. the buffer)=  1.98042E-13
  prteigrs : nnsclo,ikpt=   30  109 max resid (incl. the buffer)=  6.17915E-09
  prteigrs : nnsclo,ikpt=   30  110 max resid (incl. the buffer)=  5.21806E-08
  prteigrs : nnsclo,ikpt=   30  112 max resid (incl. the buffer)=  4.04432E-09
  prteigrs : nnsclo,ikpt=   30  113 max resid (incl. the buffer)=  1.13515E-07
  prteigrs : nnsclo,ikpt=   30  114 max resid (incl. the buffer)=  8.62192E-10
  prteigrs : nnsclo,ikpt=   30  122 max resid (incl. the buffer)=  3.13157E-06
  prteigrs : nnsclo,ikpt=   30  123 max resid (incl. the buffer)=  1.47947E-10
  prteigrs : nnsclo,ikpt=   30  124 max resid (incl. the buffer)=  3.68482E-12
  prteigrs : nnsclo,ikpt=   30  125 max resid (incl. the buffer)=  1.55092E-10
  prteigrs : nnsclo,ikpt=   30  126 max resid (incl. the buffer)=  4.54192E-13
  prteigrs : nnsclo,ikpt=   30  132 max resid (incl. the buffer)=  3.81466E-10
  prteigrs : nnsclo,ikpt=   30  133 max resid (incl. the buffer)=  1.41531E-12
  prteigrs : nnsclo,ikpt=   30  136 max resid (incl. the buffer)=  8.72233E-13
  prteigrs : nnsclo,ikpt=   30  138 max resid (incl. the buffer)=  9.27825E-10
  prteigrs : nnsclo,ikpt=   30  139 max resid (incl. the buffer)=  2.15453E-11
  prteigrs : nnsclo,ikpt=   30  141 max resid (incl. the buffer)=  1.01364E-12
  prteigrs : nnsclo,ikpt=   30  143 max resid (incl. the buffer)=  1.45334E-10
  prteigrs : nnsclo,ikpt=   30  147 max resid (incl. the buffer)=  2.05503E-12
  prteigrs : nnsclo,ikpt=   30  149 max resid (incl. the buffer)=  1.15034E-06
  prteigrs : nnsclo,ikpt=   30  153 max resid (incl. the buffer)=  1.81557E-13
  prteigrs : nnsclo,ikpt=   30  159 max resid (incl. the buffer)=  1.09323E-10
  prteigrs : nnsclo,ikpt=   30  164 max resid (incl. the buffer)=  8.72228E-13
  prteigrs : nnsclo,ikpt=   30  170 max resid (incl. the buffer)=  3.54347E-10
  prteigrs : nnsclo,ikpt=   30  171 max resid (incl. the buffer)=  1.42571E-13
  prteigrs : nnsclo,ikpt=   30  174 max resid (incl. the buffer)=  3.22785E-06
  prteigrs : nnsclo,ikpt=   30  176 max resid (incl. the buffer)=  2.14695E-12
  prteigrs : nnsclo,ikpt=   30  177 max resid (incl. the buffer)=  1.68432E-12
  prteigrs : nnsclo,ikpt=   30  180 max resid (incl. the buffer)=  1.53172E-08
  prteigrs : nnsclo,ikpt=   30  181 max resid (incl. the buffer)=  5.46060E-07
  prteigrs : nnsclo,ikpt=   30  184 max resid (incl. the buffer)=  4.76616E-13
  prteigrs : nnsclo,ikpt=   30  185 max resid (incl. the buffer)=  2.70682E-06
  prteigrs : nnsclo,ikpt=   30  186 max resid (incl. the buffer)=  6.89280E-10
  prteigrs : nnsclo,ikpt=   30  190 max resid (incl. the buffer)=  3.11094E-10
  prteigrs : nnsclo,ikpt=   30  191 max resid (incl. the buffer)=  2.45813E-08
  prteigrs : nnsclo,ikpt=   30  197 max resid (incl. the buffer)=  1.25450E-11
  prteigrs : nnsclo,ikpt=   30  198 max resid (incl. the buffer)=  9.95236E-12
  prteigrs : nnsclo,ikpt=   30  199 max resid (incl. the buffer)=  1.43226E-10
  prteigrs : nnsclo,ikpt=   30  200 max resid (incl. the buffer)=  1.48613E-11
  prteigrs : nnsclo,ikpt=   30  209 max resid (incl. the buffer)=  6.33093E-12
  prteigrs : nnsclo,ikpt=   30  210 max resid (incl. the buffer)=  3.82829E-13
  prteigrs : nnsclo,ikpt=   30  211 max resid (incl. the buffer)=  3.22833E-13
  prteigrs : nnsclo,ikpt=   30  212 max resid (incl. the buffer)=  3.64974E-06
  prteigrs : nnsclo,ikpt=   30  213 max resid (incl. the buffer)=  2.37989E-11
  prteigrs : nnsclo,ikpt=   30  215 max resid (incl. the buffer)=  4.28796E-10
  prteigrs : nnsclo,ikpt=   30  216 max resid (incl. the buffer)=  1.54879E-11
  prteigrs : nnsclo,ikpt=   30  217 max resid (incl. the buffer)=  1.82730E-10
  prteigrs : nnsclo,ikpt=   30  219 max resid (incl. the buffer)=  1.87141E-13
  prteigrs : nnsclo,ikpt=   30  222 max resid (incl. the buffer)=  2.32485E-13
  prteigrs : nnsclo,ikpt=   30  224 max resid (incl. the buffer)=  1.90822E-13
  prteigrs : nnsclo,ikpt=   30  233 max resid (incl. the buffer)=  1.54572E-13
  prteigrs : nnsclo,ikpt=   30  235 max resid (incl. the buffer)=  1.95854E-12
  prteigrs : nnsclo,ikpt=   30  236 max resid (incl. the buffer)=  6.68252E-12
  prteigrs : nnsclo,ikpt=   30  242 max resid (incl. the buffer)=  2.14102E-11
  prteigrs : nnsclo,ikpt=   30  244 max resid (incl. the buffer)=  1.40135E-13
  prteigrs : nnsclo,ikpt=   30  247 max resid (incl. the buffer)=  3.31741E-10
  prteigrs : nnsclo,ikpt=   30  248 max resid (incl. the buffer)=  5.47091E-13
  prteigrs : nnsclo,ikpt=   30  249 max resid (incl. the buffer)=  1.45728E-10
  prteigrs : nnsclo,ikpt=   30  252 max resid (incl. the buffer)=  7.73140E-08
  prteigrs : nnsclo,ikpt=   30  254 max resid (incl. the buffer)=  4.23633E-12
  prteigrs : nnsclo,ikpt=   30  258 max resid (incl. the buffer)=  4.66793E-10
  prteigrs : nnsclo,ikpt=   30  262 max resid (incl. the buffer)=  1.52601E-12
  prteigrs : nnsclo,ikpt=   30  265 max resid (incl. the buffer)=  6.22992E-08
  prteigrs : nnsclo,ikpt=   30  269 max resid (incl. the buffer)=  5.12216E-08
  prteigrs : nnsclo,ikpt=   30  272 max resid (incl. the buffer)=  1.15738E-11
  prteigrs : nnsclo,ikpt=   30  275 max resid (incl. the buffer)=  4.23187E-11
  prteigrs : nnsclo,ikpt=   30  276 max resid (incl. the buffer)=  3.83904E-12
  prteigrs : nnsclo,ikpt=   30  281 max resid (incl. the buffer)=  3.74715E-11
  prteigrs : nnsclo,ikpt=   30  284 max resid (incl. the buffer)=  2.13142E-13
  prteigrs : nnsclo,ikpt=   30  285 max resid (incl. the buffer)=  1.58208E-12
  prteigrs : nnsclo,ikpt=   30  287 max resid (incl. the buffer)=  2.77615E-07
  prteigrs : nnsclo,ikpt=   30  288 max resid (incl. the buffer)=  1.27550E-13
  prteigrs : nnsclo,ikpt=   30  290 max resid (incl. the buffer)=  7.60987E-11
  prteigrs : nnsclo,ikpt=   30  291 max resid (incl. the buffer)=  1.67544E-12
  prteigrs : nnsclo,ikpt=   30  299 max resid (incl. the buffer)=  1.76472E-09
  prteigrs : nnsclo,ikpt=   30  300 max resid (incl. the buffer)=  3.06563E-12
  prteigrs : nnsclo,ikpt=   30  302 max resid (incl. the buffer)=  4.18597E-13
  prteigrs : nnsclo,ikpt=   30  312 max resid (incl. the buffer)=  2.57132E-12
  prteigrs : nnsclo,ikpt=   30  313 max resid (incl. the buffer)=  5.63767E-13
  prteigrs : nnsclo,ikpt=   30  316 max resid (incl. the buffer)=  1.36521E-12
  prteigrs : nnsclo,ikpt=   30  318 max resid (incl. the buffer)=  6.05385E-12
  prteigrs : nnsclo,ikpt=   30  319 max resid (incl. the buffer)=  2.38195E-11
  prteigrs : nnsclo,ikpt=   30  323 max resid (incl. the buffer)=  9.27003E-13
  prteigrs : nnsclo,ikpt=   30  324 max resid (incl. the buffer)=  2.85451E-13
  prteigrs : nnsclo,ikpt=   30  326 max resid (incl. the buffer)=  3.14161E-13
  prteigrs : nnsclo,ikpt=   30  333 max resid (incl. the buffer)=  1.71277E-13
  prteigrs : nnsclo,ikpt=   30  346 max resid (incl. the buffer)=  2.38926E-09
  prteigrs : nnsclo,ikpt=   30  353 max resid (incl. the buffer)=  8.28125E-08
  prteigrs : nnsclo,ikpt=   30  355 max resid (incl. the buffer)=  1.20153E-08
  prteigrs : nnsclo,ikpt=   30  358 max resid (incl. the buffer)=  6.82318E-08
  prteigrs : nnsclo,ikpt=   30  359 max resid (incl. the buffer)=  2.11279E-10
  prteigrs : nnsclo,ikpt=   30  369 max resid (incl. the buffer)=  1.36197E-10
  prteigrs : nnsclo,ikpt=   30  372 max resid (incl. the buffer)=  8.50112E-12
  prteigrs : nnsclo,ikpt=   30  376 max resid (incl. the buffer)=  2.11581E-10
  prteigrs : nnsclo,ikpt=   30  382 max resid (incl. the buffer)=  1.70007E-09
  prteigrs : nnsclo,ikpt=   30  386 max resid (incl. the buffer)=  2.45801E-10
  prteigrs : nnsclo,ikpt=   30  387 max resid (incl. the buffer)=  3.64806E-13
  prteigrs : nnsclo,ikpt=   30  388 max resid (incl. the buffer)=  1.49010E-13
  prteigrs : nnsclo,ikpt=   30  390 max resid (incl. the buffer)=  3.25087E-11
  prteigrs : nnsclo,ikpt=   30  395 max resid (incl. the buffer)=  3.40724E-12
  prteigrs : nnsclo,ikpt=   30  399 max resid (incl. the buffer)=  8.94396E-11
  prteigrs : nnsclo,ikpt=   30  411 max resid (incl. the buffer)=  1.82859E-12
  prteigrs : nnsclo,ikpt=   30  413 max resid (incl. the buffer)=  1.07189E-10
  prteigrs : nnsclo,ikpt=   30  414 max resid (incl. the buffer)=  4.93658E-12
  prteigrs : nnsclo,ikpt=   30  419 max resid (incl. the buffer)=  3.91168E-10
  prteigrs : nnsclo,ikpt=   30  422 max resid (incl. the buffer)=  1.34494E-09
  prteigrs : nnsclo,ikpt=   30  424 max resid (incl. the buffer)=  3.36708E-09
  prteigrs : nnsclo,ikpt=   30  427 max resid (incl. the buffer)=  2.07596E-11
  prteigrs : nnsclo,ikpt=   30  428 max resid (incl. the buffer)=  4.58178E-11
  prteigrs : nnsclo,ikpt=   30  429 max resid (incl. the buffer)=  1.21440E-09
  prteigrs : nnsclo,ikpt=   30  433 max resid (incl. the buffer)=  2.94625E-09
  prteigrs : nnsclo,ikpt=   30  436 max resid (incl. the buffer)=  1.35691E-11
  prteigrs : nnsclo,ikpt=   30  453 max resid (incl. the buffer)=  1.35859E-13
  prteigrs : nnsclo,ikpt=   30  454 max resid (incl. the buffer)=  6.34055E-11
  prteigrs : nnsclo,ikpt=   30  457 max resid (incl. the buffer)=  8.63865E-10
  prteigrs : nnsclo,ikpt=   30  459 max resid (incl. the buffer)=  1.04631E-13
  prteigrs : nnsclo,ikpt=   30  463 max resid (incl. the buffer)=  3.11492E-11
  prteigrs : nnsclo,ikpt=   30  466 max resid (incl. the buffer)=  1.73968E-11
  prteigrs : nnsclo,ikpt=   30  468 max resid (incl. the buffer)=  2.16593E-13
  prteigrs : nnsclo,ikpt=   30  469 max resid (incl. the buffer)=  1.43927E-10
  prteigrs : nnsclo,ikpt=   30  473 max resid (incl. the buffer)=  2.68467E-08
  prteigrs : nnsclo,ikpt=   30  477 max resid (incl. the buffer)=  3.77886E-13
  prteigrs : nnsclo,ikpt=   30  479 max resid (incl. the buffer)=  7.37620E-12
  prteigrs : nnsclo,ikpt=   30  482 max resid (incl. the buffer)=  1.16400E-08
  prteigrs : nnsclo,ikpt=   30  483 max resid (incl. the buffer)=  1.97669E-11
  prteigrs : nnsclo,ikpt=   30  484 max resid (incl. the buffer)=  1.76836E-11
  prteigrs : nnsclo,ikpt=   30  487 max resid (incl. the buffer)=  1.06127E-11
  prteigrs : nnsclo,ikpt=   30  488 max resid (incl. the buffer)=  6.41566E-10
  prteigrs : nnsclo,ikpt=   30  490 max resid (incl. the buffer)=  2.56755E-12
  prteigrs : nnsclo,ikpt=   30  496 max resid (incl. the buffer)=  1.31079E-11
  prteigrs : nnsclo,ikpt=   30  499 max resid (incl. the buffer)=  5.18778E-12
  prteigrs : nnsclo,ikpt=   30  502 max resid (incl. the buffer)=  4.13182E-13
  prteigrs : nnsclo,ikpt=   30  506 max resid (incl. the buffer)=  3.25591E-12
  prteigrs : nnsclo,ikpt=   30  507 max resid (incl. the buffer)=  1.45799E-13
  prteigrs : nnsclo,ikpt=   30  513 max resid (incl. the buffer)=  2.10567E-11
  prteigrs : nnsclo,ikpt=   30  515 max resid (incl. the buffer)=  8.67775E-11
  prteigrs : nnsclo,ikpt=   30  518 max resid (incl. the buffer)=  1.09314E-12
  prteigrs : nnsclo,ikpt=   30  519 max resid (incl. the buffer)=  8.81095E-12
  prteigrs : nnsclo,ikpt=   30  520 max resid (incl. the buffer)=  4.52097E-12
  prteigrs : nnsclo,ikpt=   30  522 max resid (incl. the buffer)=  5.37814E-10
  prteigrs : nnsclo,ikpt=   30  528 max resid (incl. the buffer)=  1.29955E-13
  prteigrs : nnsclo,ikpt=   30  529 max resid (incl. the buffer)=  1.83598E-13
  prteigrs : nnsclo,ikpt=   30  532 max resid (incl. the buffer)=  1.03630E-12
  prteigrs : nnsclo,ikpt=   30  535 max resid (incl. the buffer)=  8.91891E-08
  prteigrs : nnsclo,ikpt=   30  538 max resid (incl. the buffer)=  4.13273E-10
  prteigrs : nnsclo,ikpt=   30  539 max resid (incl. the buffer)=  1.89073E-09
  prteigrs : nnsclo,ikpt=   30  542 max resid (incl. the buffer)=  1.59327E-11
  prteigrs : nnsclo,ikpt=   30  544 max resid (incl. the buffer)=  6.41635E-09
  prteigrs : nnsclo,ikpt=   30  547 max resid (incl. the buffer)=  6.53953E-10
  prteigrs : nnsclo,ikpt=   30  550 max resid (incl. the buffer)=  1.97767E-13
  prteigrs : nnsclo,ikpt=   30  551 max resid (incl. the buffer)=  4.00248E-13
  prteigrs : nnsclo,ikpt=   30  568 max resid (incl. the buffer)=  6.15689E-11
  prteigrs : nnsclo,ikpt=   30  573 max resid (incl. the buffer)=  3.93237E-11
  prteigrs : nnsclo,ikpt=   30  574 max resid (incl. the buffer)=  2.41276E-08
  prteigrs : nnsclo,ikpt=   30  577 max resid (incl. the buffer)=  4.43580E-13
  prteigrs : nnsclo,ikpt=   30  579 max resid (incl. the buffer)=  3.63277E-05
  prteigrs : nnsclo,ikpt=   30  582 max resid (incl. the buffer)=  2.54577E-11
  prteigrs : nnsclo,ikpt=   30  583 max resid (incl. the buffer)=  1.27360E-11
  prteigrs : nnsclo,ikpt=   30  584 max resid (incl. the buffer)=  1.79778E-13
  prteigrs : nnsclo,ikpt=   30  588 max resid (incl. the buffer)=  4.52662E-10
  prteigrs : nnsclo,ikpt=   30  590 max resid (incl. the buffer)=  6.52372E-10
  prteigrs : nnsclo,ikpt=   30  592 max resid (incl. the buffer)=  2.36796E-12
  prteigrs : nnsclo,ikpt=   30  602 max resid (incl. the buffer)=  5.73341E-13
  prteigrs : nnsclo,ikpt=   30  613 max resid (incl. the buffer)=  6.29055E-12
  prteigrs : nnsclo,ikpt=   30  616 max resid (incl. the buffer)=  1.24513E-10
  prteigrs : nnsclo,ikpt=   30  620 max resid (incl. the buffer)=  1.23468E-10
  prteigrs : nnsclo,ikpt=   30  622 max resid (incl. the buffer)=  1.27359E-12
  prteigrs : nnsclo,ikpt=   30  625 max resid (incl. the buffer)=  3.04934E-09
  prteigrs : nnsclo,ikpt=   30  629 max resid (incl. the buffer)=  2.49789E-08
  prteigrs : nnsclo,ikpt=   30  639 max resid (incl. the buffer)=  5.00454E-12
  prteigrs : nnsclo,ikpt=   30  642 max resid (incl. the buffer)=  1.56217E-13
  prteigrs : nnsclo,ikpt=   30  643 max resid (incl. the buffer)=  8.22196E-07
  prteigrs : nnsclo,ikpt=   30  646 max resid (incl. the buffer)=  1.14736E-12
  prteigrs : nnsclo,ikpt=   30  649 max resid (incl. the buffer)=  8.56424E-13
  prteigrs : nnsclo,ikpt=   30  658 max resid (incl. the buffer)=  1.51990E-12
  prteigrs : nnsclo,ikpt=   30  659 max resid (incl. the buffer)=  4.23248E-13
  prteigrs : nnsclo,ikpt=   30  676 max resid (incl. the buffer)=  1.29713E-08
  prteigrs : nnsclo,ikpt=   30  677 max resid (incl. the buffer)=  2.02268E-13
  prteigrs : nnsclo,ikpt=   30  679 max resid (incl. the buffer)=  2.66264E-13
  prteigrs : nnsclo,ikpt=   30  683 max resid (incl. the buffer)=  1.00198E-04
  prteigrs : nnsclo,ikpt=   30  684 max resid (incl. the buffer)=  8.75322E-12
  prteigrs : nnsclo,ikpt=   30  685 max resid (incl. the buffer)=  4.45628E-13
  prteigrs : nnsclo,ikpt=   30  689 max resid (incl. the buffer)=  2.73323E-10
  prteigrs : nnsclo,ikpt=   30  690 max resid (incl. the buffer)=  5.50586E-13
  prteigrs : nnsclo,ikpt=   30  692 max resid (incl. the buffer)=  4.58327E-11
  prteigrs : nnsclo,ikpt=   30  699 max resid (incl. the buffer)=  1.85380E-12
  prteigrs : nnsclo,ikpt=   30  702 max resid (incl. the buffer)=  6.29118E-11
  prteigrs : nnsclo,ikpt=   30  710 max resid (incl. the buffer)=  5.75582E-13
  prteigrs : nnsclo,ikpt=   30  711 max resid (incl. the buffer)=  3.58115E-13
  prteigrs : nnsclo,ikpt=   30  714 max resid (incl. the buffer)=  6.28782E-11
  prteigrs : nnsclo,ikpt=   30  720 max resid (incl. the buffer)=  1.02336E-09
  prteigrs : nnsclo,ikpt=   30  722 max resid (incl. the buffer)=  5.58436E-13
  prteigrs : nnsclo,ikpt=   30  725 max resid (incl. the buffer)=  7.33576E-10
  prteigrs : nnsclo,ikpt=   30  726 max resid (incl. the buffer)=  1.89003E-07
  prteigrs : nnsclo,ikpt=   30  732 max resid (incl. the buffer)=  2.07234E-13
  prteigrs : nnsclo,ikpt=   30  736 max resid (incl. the buffer)=  4.29825E-11
  prteigrs : nnsclo,ikpt=   30  743 max resid (incl. the buffer)=  2.39360E-11
  prteigrs : nnsclo,ikpt=   30  747 max resid (incl. the buffer)=  1.18735E-10
  prteigrs : nnsclo,ikpt=   30  753 max resid (incl. the buffer)=  3.07433E-09
  prteigrs : nnsclo,ikpt=   30  754 max resid (incl. the buffer)=  7.06915E-08
  prteigrs : nnsclo,ikpt=   30  757 max resid (incl. the buffer)=  3.71590E-13
  prteigrs : nnsclo,ikpt=   30  759 max resid (incl. the buffer)=  3.85610E-11
  prteigrs : nnsclo,ikpt=   30  764 max resid (incl. the buffer)=  1.06042E-13
  prteigrs : nnsclo,ikpt=   30  768 max resid (incl. the buffer)=  5.03454E-12
  prteigrs : nnsclo,ikpt=   30  769 max resid (incl. the buffer)=  6.29397E-10
  prteigrs : nnsclo,ikpt=   30  777 max resid (incl. the buffer)=  1.64041E-13
  prteigrs : nnsclo,ikpt=   30  779 max resid (incl. the buffer)=  2.81206E-12
  prteigrs : nnsclo,ikpt=   30  784 max resid (incl. the buffer)=  1.21088E-13
  prteigrs : nnsclo,ikpt=   30  786 max resid (incl. the buffer)=  3.13406E-11
  prteigrs : nnsclo,ikpt=   30  788 max resid (incl. the buffer)=  7.48532E-13
  prteigrs : nnsclo,ikpt=   30  789 max resid (incl. the buffer)=  4.31489E-11
  prteigrs : nnsclo,ikpt=   30  791 max resid (incl. the buffer)=  6.24787E-12
  prteigrs : nnsclo,ikpt=   30  792 max resid (incl. the buffer)=  1.36655E-09
  prteigrs : nnsclo,ikpt=   30  793 max resid (incl. the buffer)=  1.00284E-13
  prteigrs : nnsclo,ikpt=   30  800 max resid (incl. the buffer)=  1.62033E-11
  prteigrs : nnsclo,ikpt=   30  801 max resid (incl. the buffer)=  3.02449E-10
  prteigrs : nnsclo,ikpt=   30  802 max resid (incl. the buffer)=  2.27255E-08
  prteigrs : nnsclo,ikpt=   30  803 max resid (incl. the buffer)=  2.97954E-07
  prteigrs : nnsclo,ikpt=   30  804 max resid (incl. the buffer)=  3.08819E-12
  prteigrs : nnsclo,ikpt=   30  810 max resid (incl. the buffer)=  1.10688E-12
  prteigrs : nnsclo,ikpt=   30  811 max resid (incl. the buffer)=  2.52180E-06
  prteigrs : nnsclo,ikpt=   30  814 max resid (incl. the buffer)=  4.54395E-12
  prteigrs : nnsclo,ikpt=   30  815 max resid (incl. the buffer)=  2.50178E-06
  prteigrs : nnsclo,ikpt=   30  816 max resid (incl. the buffer)=  1.31635E-08
  prteigrs : nnsclo,ikpt=   30  817 max resid (incl. the buffer)=  1.18130E-12
  prteigrs : nnsclo,ikpt=   30  820 max resid (incl. the buffer)=  2.03821E-12
  prteigrs : nnsclo,ikpt=   30  821 max resid (incl. the buffer)=  1.13010E-12
  prteigrs : nnsclo,ikpt=   30  822 max resid (incl. the buffer)=  1.28700E-13
  prteigrs : nnsclo,ikpt=   30  825 max resid (incl. the buffer)=  1.03441E-10
  prteigrs : nnsclo,ikpt=   30  827 max resid (incl. the buffer)=  1.91213E-09
  prteigrs : nnsclo,ikpt=   30  830 max resid (incl. the buffer)=  4.92731E-12
  prteigrs : nnsclo,ikpt=   30  832 max resid (incl. the buffer)=  2.83772E-09
  prteigrs : nnsclo,ikpt=   30  836 max resid (incl. the buffer)=  4.75752E-11
  prteigrs : nnsclo,ikpt=   30  837 max resid (incl. the buffer)=  6.10246E-13
  prteigrs : nnsclo,ikpt=   30  838 max resid (incl. the buffer)=  1.30362E-11
  prteigrs : nnsclo,ikpt=   30  840 max resid (incl. the buffer)=  9.40048E-13
  prteigrs : nnsclo,ikpt=   30  842 max resid (incl. the buffer)=  9.70618E-08
  prteigrs : nnsclo,ikpt=   30  843 max resid (incl. the buffer)=  1.40524E-12
  prteigrs : nnsclo,ikpt=   30  847 max resid (incl. the buffer)=  3.45677E-12
  prteigrs : nnsclo,ikpt=   30  848 max resid (incl. the buffer)=  4.14345E-12
  prteigrs : nnsclo,ikpt=   30  850 max resid (incl. the buffer)=  3.87264E-13
  prteigrs : nnsclo,ikpt=   30  852 max resid (incl. the buffer)=  7.86117E-11
  prteigrs : nnsclo,ikpt=   30  858 max resid (incl. the buffer)=  7.05761E-09
  prteigrs : nnsclo,ikpt=   30  860 max resid (incl. the buffer)=  1.26090E-11
  prteigrs : nnsclo,ikpt=   30  862 max resid (incl. the buffer)=  1.16505E-13
  prteigrs : nnsclo,ikpt=   30  863 max resid (incl. the buffer)=  9.36111E-11
  prteigrs : nnsclo,ikpt=   30  864 max resid (incl. the buffer)=  1.43649E-12
  prteigrs : nnsclo,ikpt=   30  865 max resid (incl. the buffer)=  5.55723E-13
  prteigrs : nnsclo,ikpt=   30  869 max resid (incl. the buffer)=  3.17025E-10
  prteigrs : nnsclo,ikpt=   30  870 max resid (incl. the buffer)=  2.43204E-12
  prteigrs : nnsclo,ikpt=   30  875 max resid (incl. the buffer)=  1.26118E-10
  prteigrs : nnsclo,ikpt=   30  876 max resid (incl. the buffer)=  2.24339E-10
  prteigrs : nnsclo,ikpt=   30  878 max resid (incl. the buffer)=  3.28715E-13
  prteigrs : nnsclo,ikpt=   30  879 max resid (incl. the buffer)=  2.28857E-09
  prteigrs : nnsclo,ikpt=   30  887 max resid (incl. the buffer)=  1.39964E-11
  prteigrs : nnsclo,ikpt=   30  888 max resid (incl. the buffer)=  4.54901E-08
  prteigrs : nnsclo,ikpt=   30  889 max resid (incl. the buffer)=  2.14372E-10
  prteigrs : nnsclo,ikpt=   30  890 max resid (incl. the buffer)=  1.67290E-12
  prteigrs : nnsclo,ikpt=   30  891 max resid (incl. the buffer)=  4.89219E-12
  prteigrs : nnsclo,ikpt=   30  892 max resid (incl. the buffer)=  1.07416E-10
  prteigrs : nnsclo,ikpt=   30  893 max resid (incl. the buffer)=  3.15399E-09
  prteigrs : nnsclo,ikpt=   30  894 max resid (incl. the buffer)=  3.69723E-10
  prteigrs : nnsclo,ikpt=   30  895 max resid (incl. the buffer)=  9.71578E-13
  prteigrs : nnsclo,ikpt=   30  896 max resid (incl. the buffer)=  7.77669E-12
  prteigrs : nnsclo,ikpt=   30  897 max resid (incl. the buffer)=  1.42982E-11
  prteigrs : nnsclo,ikpt=   30  899 max resid (incl. the buffer)=  3.11038E-12
  prteigrs : nnsclo,ikpt=   30  900 max resid (incl. the buffer)=  2.98547E-05
  prteigrs : nnsclo,ikpt=   30  901 max resid (incl. the buffer)=  7.34834E-07
  prteigrs : nnsclo,ikpt=   30  902 max resid (incl. the buffer)=  2.25984E-09
  prteigrs : nnsclo,ikpt=   30  903 max resid (incl. the buffer)=  1.83523E-11
  prteigrs : nnsclo,ikpt=   30  908 max resid (incl. the buffer)=  2.29637E-12
  prteigrs : nnsclo,ikpt=   30  909 max resid (incl. the buffer)=  9.16590E-11
  prteigrs : nnsclo,ikpt=   30  910 max resid (incl. the buffer)=  3.95919E-09
  prteigrs : nnsclo,ikpt=   30  911 max resid (incl. the buffer)=  9.27955E-08
  prteigrs : nnsclo,ikpt=   30  917 max resid (incl. the buffer)=  1.53786E-11
  prteigrs : nnsclo,ikpt=   30  918 max resid (incl. the buffer)=  2.46263E-09
  prteigrs : nnsclo,ikpt=   30  919 max resid (incl. the buffer)=  2.53577E-09
  prteigrs : nnsclo,ikpt=   30  920 max resid (incl. the buffer)=  1.65139E-09
  prteigrs : nnsclo,ikpt=   30  921 max resid (incl. the buffer)=  3.28522E-13
  prteigrs : nnsclo,ikpt=   30  929 max resid (incl. the buffer)=  4.95338E-10
  prteigrs : nnsclo,ikpt=   30  930 max resid (incl. the buffer)=  1.84364E-13
  prteigrs : nnsclo,ikpt=   30  939 max resid (incl. the buffer)=  7.83462E-12
  prteigrs : nnsclo,ikpt=   30  949 max resid (incl. the buffer)=  1.98047E-13
  prteigrs : nnsclo,ikpt=   30  962 max resid (incl. the buffer)=  5.04967E-12
  prteigrs : nnsclo,ikpt=   30  971 max resid (incl. the buffer)=  4.74009E-13
  prteigrs : nnsclo,ikpt=   30  972 max resid (incl. the buffer)=  5.46790E-10
  prteigrs : nnsclo,ikpt=   30  980 max resid (incl. the buffer)=  1.28302E-13
  prteigrs : nnsclo,ikpt=   30  981 max resid (incl. the buffer)=  1.09463E-08
  prteigrs : nnsclo,ikpt=   30  982 max resid (incl. the buffer)=  5.92802E-09
  prteigrs : nnsclo,ikpt=   30  983 max resid (incl. the buffer)=  1.95854E-10
  prteigrs : nnsclo,ikpt=   30  984 max resid (incl. the buffer)=  3.11921E-11
  prteigrs : nnsclo,ikpt=   30  985 max resid (incl. the buffer)=  3.36381E-13
  prteigrs : nnsclo,ikpt=   30  990 max resid (incl. the buffer)=  1.12229E-05
  prteigrs : nnsclo,ikpt=   30  991 max resid (incl. the buffer)=  1.88135E-08
  prteigrs : nnsclo,ikpt=   30  992 max resid (incl. the buffer)=  6.94727E-09
  prteigrs : nnsclo,ikpt=   30  999 max resid (incl. the buffer)=  1.14232E-05
  prteigrs : nnsclo,ikpt=   30 1000 max resid (incl. the buffer)=  6.53994E-07
================================================================================
 
 ----iterations are completed or convergence reached----
 
 Mean square residual over all n,k,spin=   6.2278E-08; max=  1.0020E-04
   0.0470  0.0370  0.0320    1  6.75153E-05 kpt; spin; max resid(k); each band:
  6.48E-14 2.03E-14 7.72E-14 4.31E-14 6.75E-05
   0.0470  0.0370  0.1320    1  2.74893E-05 kpt; spin; max resid(k); each band:
  2.92E-14 1.35E-14 1.07E-14 4.24E-14 2.75E-05
   0.0470  0.0370  0.2320    1  8.25345E-13 kpt; spin; max resid(k); each band:
  8.96E-14 2.13E-14 8.08E-14 2.45E-14 8.25E-13
   0.0470  0.0370  0.3320    1  8.45034E-14 kpt; spin; max resid(k); each band:
  8.45E-14 3.93E-14 4.05E-14 5.68E-15 4.47E-14
   0.0470  0.0370  0.4320    1  6.49731E-14 kpt; spin; max resid(k); each band:
  5.87E-14 6.50E-14 2.14E-14 1.88E-14 1.70E-14
   0.0470  0.0370  0.5320    1  9.80471E-14 kpt; spin; max resid(k); each band:
  4.52E-14 7.97E-14 9.80E-14 4.33E-14 3.09E-14
   0.0470  0.0370  0.6320    1  9.14557E-14 kpt; spin; max resid(k); each band:
  7.29E-14 4.37E-14 9.15E-14 5.80E-14 3.76E-14
   0.0470  0.0370  0.7320    1  7.37998E-14 kpt; spin; max resid(k); each band:
  3.16E-14 4.43E-14 6.10E-14 7.38E-14 5.00E-14
   0.0470  0.0370  0.8320    1  1.07854E-10 kpt; spin; max resid(k); each band:
  2.67E-14 2.77E-14 5.21E-14 6.30E-14 1.08E-10
   0.0470  0.0370  0.9320    1  1.82827E-07 kpt; spin; max resid(k); each band:
  8.33E-15 3.29E-14 5.81E-14 5.24E-14 1.83E-07
   0.0470  0.1370  0.0320    1  2.08469E-06 kpt; spin; max resid(k); each band:
  8.50E-15 9.60E-15 3.49E-14 1.25E-14 2.08E-06
   0.0470  0.1370  0.1320    1  1.57779E-11 kpt; spin; max resid(k); each band:
  2.40E-14 9.98E-14 7.21E-14 1.98E-14 1.58E-11
   0.0470  0.1370  0.2320    1  7.21453E-14 kpt; spin; max resid(k); each band:
  1.49E-14 6.88E-14 4.71E-14 8.74E-15 7.21E-14
   0.0470  0.1370  0.3320    1  9.42442E-14 kpt; spin; max resid(k); each band:
  9.31E-14 4.16E-14 8.63E-14 9.42E-14 3.29E-14
   0.0470  0.1370  0.4320    1  7.38729E-14 kpt; spin; max resid(k); each band:
  2.42E-14 3.44E-14 4.83E-14 7.39E-14 6.02E-14
   0.0470  0.1370  0.5320    1  7.02508E-14 kpt; spin; max resid(k); each band:
  3.41E-14 5.06E-14 7.03E-14 1.23E-14 1.79E-14
   0.0470  0.1370  0.6320    1  7.17431E-13 kpt; spin; max resid(k); each band:
  2.49E-14 9.15E-14 2.71E-14 3.93E-14 7.17E-13
   0.0470  0.1370  0.7320    1  1.02232E-11 kpt; spin; max resid(k); each band:
  8.99E-14 2.12E-14 5.59E-14 1.42E-14 1.02E-11
   0.0470  0.1370  0.8320    1  2.96819E-08 kpt; spin; max resid(k); each band:
  2.77E-14 7.82E-14 2.24E-14 6.13E-15 2.97E-08
   0.0470  0.1370  0.9320    1  3.45426E-10 kpt; spin; max resid(k); each band:
  1.36E-14 2.92E-14 1.11E-14 5.56E-14 3.45E-10
   0.0470  0.2370  0.0320    1  1.80145E-11 kpt; spin; max resid(k); each band:
  9.34E-14 6.44E-14 5.50E-14 1.77E-14 1.80E-11
   0.0470  0.2370  0.1320    1  7.86979E-14 kpt; spin; max resid(k); each band:
  4.91E-14 1.56E-14 7.87E-14 1.19E-14 2.72E-14
   0.0470  0.2370  0.2320    1  4.23124E-14 kpt; spin; max resid(k); each band:
  3.31E-14 4.03E-14 2.44E-14 4.23E-14 4.23E-14
   0.0470  0.2370  0.3320    1  4.41053E-14 kpt; spin; max resid(k); each band:
  3.05E-14 1.52E-14 3.76E-14 4.41E-14 4.41E-14
   0.0470  0.2370  0.4320    1  7.78606E-14 kpt; spin; max resid(k); each band:
  1.97E-14 1.20E-14 7.79E-14 1.06E-14 2.13E-14
   0.0470  0.2370  0.5320    1  7.56046E-14 kpt; spin; max resid(k); each band:
  1.94E-14 1.66E-14 5.30E-14 6.33E-14 7.56E-14
   0.0470  0.2370  0.6320    1  6.38770E-14 kpt; spin; max resid(k); each band:
  6.39E-14 1.84E-14 2.81E-14 5.27E-14 4.49E-14
   0.0470  0.2370  0.7320    1  7.69807E-14 kpt; spin; max resid(k); each band:
  2.87E-14 2.13E-14 3.52E-14 6.95E-14 7.70E-14
   0.0470  0.2370  0.8320    1  7.88248E-11 kpt; spin; max resid(k); each band:
  5.15E-14 1.96E-14 2.81E-14 8.29E-14 7.88E-11
   0.0470  0.2370  0.9320    1  6.05112E-12 kpt; spin; max resid(k); each band:
  2.59E-14 3.66E-14 1.52E-14 8.67E-14 6.05E-12
   0.0470  0.3370  0.0320    1  9.64187E-14 kpt; spin; max resid(k); each band:
  5.85E-14 1.11E-14 2.57E-14 2.12E-14 9.64E-14
   0.0470  0.3370  0.1320    1  3.78917E-14 kpt; spin; max resid(k); each band:
  3.79E-14 3.64E-14 2.03E-14 2.09E-14 2.95E-14
   0.0470  0.3370  0.2320    1  7.63271E-14 kpt; spin; max resid(k); each band:
  5.57E-14 4.30E-14 3.49E-14 2.97E-14 7.63E-14
   0.0470  0.3370  0.3320    1  7.57514E-14 kpt; spin; max resid(k); each band:
  4.85E-14 3.17E-14 7.58E-14 1.98E-14 7.11E-14
   0.0470  0.3370  0.4320    1  8.27852E-14 kpt; spin; max resid(k); each band:
  3.01E-14 2.68E-14 8.28E-14 6.86E-14 6.05E-14
   0.0470  0.3370  0.5320    1  7.54131E-14 kpt; spin; max resid(k); each band:
  2.80E-14 5.79E-14 2.66E-14 7.54E-14 4.63E-14
   0.0470  0.3370  0.6320    1  8.93000E-14 kpt; spin; max resid(k); each band:
  4.92E-14 4.72E-14 4.97E-14 8.93E-14 7.41E-14
   0.0470  0.3370  0.7320    1  8.87417E-14 kpt; spin; max resid(k); each band:
  1.89E-14 5.82E-14 3.67E-14 8.87E-14 3.71E-14
   0.0470  0.3370  0.8320    1  8.77642E-14 kpt; spin; max resid(k); each band:
  8.78E-14 2.96E-14 2.66E-14 2.17E-14 5.73E-14
   0.0470  0.3370  0.9320    1  1.08516E-13 kpt; spin; max resid(k); each band:
  1.19E-14 9.56E-14 7.47E-14 2.98E-14 1.09E-13
   0.0470  0.4370  0.0320    1  8.94127E-14 kpt; spin; max resid(k); each band:
  8.94E-14 1.43E-14 1.62E-14 8.47E-14 4.87E-14
   0.0470  0.4370  0.1320    1  4.90919E-12 kpt; spin; max resid(k); each band:
  9.67E-14 4.35E-14 3.89E-14 4.31E-14 4.91E-12
   0.0470  0.4370  0.2320    1  6.43025E-14 kpt; spin; max resid(k); each band:
  1.96E-14 4.69E-14 4.01E-14 6.43E-14 2.98E-14
   0.0470  0.4370  0.3320    1  6.11134E-14 kpt; spin; max resid(k); each band:
  2.39E-14 4.79E-14 3.11E-14 2.88E-14 6.11E-14
   0.0470  0.4370  0.4320    1  5.25832E-14 kpt; spin; max resid(k); each band:
  4.49E-14 1.27E-14 5.26E-14 1.68E-14 1.69E-14
   0.0470  0.4370  0.5320    1  4.06848E-14 kpt; spin; max resid(k); each band:
  4.07E-14 2.73E-14 3.73E-14 2.05E-14 3.46E-14
   0.0470  0.4370  0.6320    1  9.51933E-14 kpt; spin; max resid(k); each band:
  9.52E-14 1.22E-14 5.79E-14 3.76E-14 3.91E-14
   0.0470  0.4370  0.7320    1  5.20007E-14 kpt; spin; max resid(k); each band:
  3.34E-14 5.20E-14 4.31E-14 3.60E-14 4.85E-14
   0.0470  0.4370  0.8320    1  9.32374E-14 kpt; spin; max resid(k); each band:
  6.83E-14 9.32E-14 4.58E-14 5.03E-14 5.88E-14
   0.0470  0.4370  0.9320    1  9.68940E-14 kpt; spin; max resid(k); each band:
  9.69E-14 1.87E-14 2.37E-14 5.54E-14 2.07E-14
 outwf : prtvol=0 or 1, do not print more k-points.
 
 reduced coordinates (array xred) for    2 atoms
      -0.125000000000     -0.125000000000     -0.125000000000
       0.125000000000      0.125000000000      0.125000000000
 
 cartesian coordinates (angstrom) at end:
    1     -0.67874914659796    -0.67874914659796    -0.67874914659796
    2      0.67874914659796     0.67874914659796     0.67874914659796
 length scales= 10.261200000000 10.261200000000 10.261200000000 bohr
              =  5.429993172784  5.429993172784  5.429993172784 angstroms
 prteigrs : about to open file o_EIG
 Eigenvalues (hartree) for nkpt=1000  k points:
 kpt#   1, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.0320 (reduced coord)
  -0.20979   0.22042   0.22658   0.22839   0.32428
 kpt#   2, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.1320 (reduced coord)
  -0.20458   0.18234   0.21082   0.22491   0.32533
 kpt#   3, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.2320 (reduced coord)
  -0.19000   0.11515   0.19503   0.21241   0.31218
 kpt#   4, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.3320 (reduced coord)
  -0.16705   0.05024   0.18368   0.19898   0.29902
 kpt#   5, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.4320 (reduced coord)
  -0.13949  -0.00323   0.17805   0.18890   0.29052
 kpt#   6, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.5320 (reduced coord)
  -0.12388  -0.02713   0.17809   0.18374   0.28782
 kpt#   7, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.6320 (reduced coord)
  -0.14163   0.00033   0.18205   0.18557   0.29112
 kpt#   8, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.7320 (reduced coord)
  -0.16913   0.05512   0.18853   0.19544   0.30011
 kpt#   9, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.8320 (reduced coord)
  -0.19149   0.12063   0.19995   0.20924   0.31323
 kpt#  10, nband=  5, wtk=  0.00100, kpt=  0.0470  0.0370  0.9320 (reduced coord)
  -0.20535   0.18791   0.21485   0.22177   0.32097
 kpt#  11, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.0320 (reduced coord)
  -0.20394   0.17828   0.21041   0.22378   0.32402
 kpt#  12, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.1320 (reduced coord)
  -0.20194   0.17815   0.20424   0.20878   0.30954
 kpt#  13, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.2320 (reduced coord)
  -0.19045   0.13310   0.17785   0.20131   0.31019
 kpt#  14, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.3320 (reduced coord)
  -0.17013   0.07127   0.16191   0.18788   0.31701
 kpt#  15, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.4320 (reduced coord)
  -0.14331   0.01469   0.15201   0.17657   0.31345
 kpt#  16, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.5320 (reduced coord)
  -0.12023  -0.02202   0.14564   0.17329   0.31147
 kpt#  17, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.6320 (reduced coord)
  -0.12785  -0.01076   0.14309   0.17883   0.31449
 kpt#  18, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.7320 (reduced coord)
  -0.15495   0.03690   0.14645   0.19085   0.32194
 kpt#  19, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.8320 (reduced coord)
  -0.17957   0.09645   0.15802   0.20573   0.33006
 kpt#  20, nband=  5, wtk=  0.00100, kpt=  0.0470  0.1370  0.9320 (reduced coord)
  -0.19636   0.15012   0.18515   0.21627   0.32216
 kpt#  21, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.0320 (reduced coord)
  -0.18875   0.11065   0.19504   0.21088   0.31090
 kpt#  22, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.1320 (reduced coord)
  -0.18983   0.12959   0.17760   0.20211   0.31258
 kpt#  23, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.2320 (reduced coord)
  -0.18144   0.12056   0.17064   0.17205   0.28233
 kpt#  24, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.3320 (reduced coord)
  -0.16398   0.08015   0.14562   0.16267   0.28525
 kpt#  25, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.4320 (reduced coord)
  -0.13890   0.03069   0.12364   0.15335   0.29455
 kpt#  26, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.5320 (reduced coord)
  -0.11213  -0.01092   0.10609   0.15282   0.29795
 kpt#  27, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.6320 (reduced coord)
  -0.10802  -0.01630   0.09601   0.16089   0.30697
 kpt#  28, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.7320 (reduced coord)
  -0.13276   0.02005   0.09687   0.17551   0.32261
 kpt#  29, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.8320 (reduced coord)
  -0.15896   0.06130   0.11809   0.19276   0.33872
 kpt#  30, nband=  5, wtk=  0.00100, kpt=  0.0470  0.2370  0.9320 (reduced coord)
  -0.17827   0.08813   0.16642   0.20366   0.32318
 kpt#  31, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.0320 (reduced coord)
  -0.16533   0.04620   0.18405   0.19765   0.29797
 kpt#  32, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.1320 (reduced coord)
  -0.16897   0.06724   0.16249   0.18843   0.31749
 kpt#  33, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.2320 (reduced coord)
  -0.16341   0.07800   0.14476   0.16322   0.28774
 kpt#  34, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.3320 (reduced coord)
  -0.14880   0.05776   0.14195   0.14551   0.26086
 kpt#  35, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.4320 (reduced coord)
  -0.12600   0.02299   0.12168   0.13548   0.26841
 kpt#  36, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.5320 (reduced coord)
  -0.09834  -0.01172   0.09121   0.13462   0.27634
 kpt#  37, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.6320 (reduced coord)
  -0.08446  -0.02656   0.07090   0.14243   0.28561
 kpt#  38, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.7320 (reduced coord)
  -0.10568  -0.00507   0.07223   0.15735   0.30259
 kpt#  39, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.8320 (reduced coord)
  -0.13205   0.01382   0.10510   0.17599   0.32271
 kpt#  40, nband=  5, wtk=  0.00100, kpt=  0.0470  0.3370  0.9320 (reduced coord)
  -0.15273   0.02821   0.15688   0.18965   0.31393
 kpt#  41, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.0320 (reduced coord)
  -0.13779  -0.00611   0.17868   0.18804   0.28982
 kpt#  42, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.1320 (reduced coord)
  -0.14191   0.01124   0.15324   0.17733   0.31290
 kpt#  43, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.2320 (reduced coord)
  -0.13793   0.02782   0.12365   0.15417   0.29602
 kpt#  44, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.3320 (reduced coord)
  -0.12552   0.02223   0.11960   0.13591   0.27035
 kpt#  45, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.4320 (reduced coord)
  -0.10500  -0.00523   0.12473   0.12965   0.25141
 kpt#  46, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.5320 (reduced coord)
  -0.07805  -0.03518   0.10959   0.12317   0.26251
 kpt#  47, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.6320 (reduced coord)
  -0.06648  -0.04400   0.08119   0.12961   0.27081
 kpt#  48, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.7320 (reduced coord)
  -0.08899  -0.02414   0.07598   0.14370   0.28720
 kpt#  49, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.8320 (reduced coord)
  -0.10967  -0.01956   0.10646   0.16286   0.30910
 kpt#  50, nband=  5, wtk=  0.00100, kpt=  0.0470  0.4370  0.9320 (reduced coord)
  -0.12653  -0.01647   0.15385   0.17980   0.30791
 prteigrs : prtvol=0 or 1, do not print more k-points.
 
 Total charge density [el/Bohr^3]
,     Maximum=    0.0000E+00  at reduced coord.    0.9667    0.9667    0.9667
,Next maximum=    0.0000E+00  at reduced coord.    0.9333    0.9667    0.9667
,     Minimum=    0.0000E+00  at reduced coord.    0.0000    0.0000    0.0000
,Next minimum=    0.0000E+00  at reduced coord.    0.0333    0.0000    0.0000
,  Integrated=    0.0000E+00
 
--------------------------------------------------------------------------------
 Components of total free energy (in Hartree) :
 
    Kinetic energy  =  3.05586494375553E+00
    Hartree energy  =  5.47965107525444E-01
    XC energy       = -2.39472536766002E+00
    Ewald energy    = -8.39948239058486E+00
    PspCore energy  = -6.50884021995559E-02
    Loc. psp. energy= -2.47111528783825E+00
    NL   psp  energy=  1.78613919314786E+00
    >>>>>>>>> Etotal= -7.94044220385385E+00
 
 "Double-counting" decomposition of free energy:
    Band energy     =  3.43057538887238E-01
    Ewald energy    = -8.39948239058486E+00
    PspCore energy  = -6.50884021995559E-02
    Dble-C XC-energy=  1.81113473819619E-01
    >>>> Etotal (DC)= -7.94039978007756E+00
--------------------------------------------------------------------------------
 
== END DATASET(S) ==============================================================
================================================================================
  
 -outvars: echo values of variables after computation  --------
            acell      1.0261200000E+01  1.0261200000E+01  1.0261200000E+01 Bohr
              amu      2.80855000E+01
      chksymbreak           0
             ecut      2.00000000E+01 Hartree
           etotal     -7.9403821501E+00
-          fftalg         312
           irdden           1
             iscf          -3
              ixc           7
              kpt      4.70000000E-02  3.70000000E-02  3.20000000E-02
                       4.70000000E-02  3.70000000E-02  1.32000000E-01
                       4.70000000E-02  3.70000000E-02  2.32000000E-01
                       4.70000000E-02  3.70000000E-02  3.32000000E-01
                       4.70000000E-02  3.70000000E-02  4.32000000E-01
                       4.70000000E-02  3.70000000E-02  5.32000000E-01
                       4.70000000E-02  3.70000000E-02  6.32000000E-01
                       4.70000000E-02  3.70000000E-02  7.32000000E-01
                       4.70000000E-02  3.70000000E-02  8.32000000E-01
                       4.70000000E-02  3.70000000E-02  9.32000000E-01
                       4.70000000E-02  1.37000000E-01  3.20000000E-02
                       4.70000000E-02  1.37000000E-01  1.32000000E-01
                       4.70000000E-02  1.37000000E-01  2.32000000E-01
                       4.70000000E-02  1.37000000E-01  3.32000000E-01
                       4.70000000E-02  1.37000000E-01  4.32000000E-01
                       4.70000000E-02  1.37000000E-01  5.32000000E-01
                       4.70000000E-02  1.37000000E-01  6.32000000E-01
                       4.70000000E-02  1.37000000E-01  7.32000000E-01
                       4.70000000E-02  1.37000000E-01  8.32000000E-01
                       4.70000000E-02  1.37000000E-01  9.32000000E-01
                       4.70000000E-02  2.37000000E-01  3.20000000E-02
                       4.70000000E-02  2.37000000E-01  1.32000000E-01
                       4.70000000E-02  2.37000000E-01  2.32000000E-01
                       4.70000000E-02  2.37000000E-01  3.32000000E-01
                       4.70000000E-02  2.37000000E-01  4.32000000E-01
                       4.70000000E-02  2.37000000E-01  5.32000000E-01
                       4.70000000E-02  2.37000000E-01  6.32000000E-01
                       4.70000000E-02  2.37000000E-01  7.32000000E-01
                       4.70000000E-02  2.37000000E-01  8.32000000E-01
                       4.70000000E-02  2.37000000E-01  9.32000000E-01
                       4.70000000E-02  3.37000000E-01  3.20000000E-02
                       4.70000000E-02  3.37000000E-01  1.32000000E-01
                       4.70000000E-02  3.37000000E-01  2.32000000E-01
                       4.70000000E-02  3.37000000E-01  3.32000000E-01
                       4.70000000E-02  3.37000000E-01  4.32000000E-01
                       4.70000000E-02  3.37000000E-01  5.32000000E-01
                       4.70000000E-02  3.37000000E-01  6.32000000E-01
                       4.70000000E-02  3.37000000E-01  7.32000000E-01
                       4.70000000E-02  3.37000000E-01  8.32000000E-01
                       4.70000000E-02  3.37000000E-01  9.32000000E-01
                       4.70000000E-02  4.37000000E-01  3.20000000E-02
                       4.70000000E-02  4.37000000E-01  1.32000000E-01
                       4.70000000E-02  4.37000000E-01  2.32000000E-01
                       4.70000000E-02  4.37000000E-01  3.32000000E-01
                       4.70000000E-02  4.37000000E-01  4.32000000E-01
                       4.70000000E-02  4.37000000E-01  5.32000000E-01
                       4.70000000E-02  4.37000000E-01  6.32000000E-01
                       4.70000000E-02  4.37000000E-01  7.32000000E-01
                       4.70000000E-02  4.37000000E-01  8.32000000E-01
                       4.70000000E-02  4.37000000E-01  9.32000000E-01
                       outvar_i_n : Printing only first  50 k-points.
           kptopt           0
P           mkmem        1000
            natom           2
            nband           5
           nbdbuf           1
            ngfft          30      30      30
             nkpt        1000
            nline           6
             nsym          48
           ntypat           1
              occ      2.000000  2.000000  2.000000  2.000000  0.000000
           prtden           0
            rprim      0.0000000000E+00  5.0000000000E-01  5.0000000000E-01
                       5.0000000000E-01  0.0000000000E+00  5.0000000000E-01
                       5.0000000000E-01  5.0000000000E-01  0.0000000000E+00
          spgroup         227
           symrel      1  0  0   0  1  0   0  0  1      -1  0  0   0 -1  0   0  0 -1
                       0 -1  1   0 -1  0   1 -1  0       0  1 -1   0  1  0  -1  1  0
                      -1  0  0  -1  0  1  -1  1  0       1  0  0   1  0 -1   1 -1  0
                       0  1 -1   1  0 -1   0  0 -1       0 -1  1  -1  0  1   0  0  1
                      -1  0  0  -1  1  0  -1  0  1       1  0  0   1 -1  0   1  0 -1
                       0 -1  1   1 -1  0   0 -1  0       0  1 -1  -1  1  0   0  1  0
                       1  0  0   0  0  1   0  1  0      -1  0  0   0  0 -1   0 -1  0
                       0  1 -1   0  0 -1   1  0 -1       0 -1  1   0  0  1  -1  0  1
                      -1  0  1  -1  1  0  -1  0  0       1  0 -1   1 -1  0   1  0  0
                       0 -1  0   1 -1  0   0 -1  1       0  1  0  -1  1  0   0  1 -1
                       1  0 -1   0  0 -1   0  1 -1      -1  0  1   0  0  1   0 -1  1
                       0  1  0   0  0  1   1  0  0       0 -1  0   0  0 -1  -1  0  0
                       1  0 -1   0  1 -1   0  0 -1      -1  0  1   0 -1  1   0  0  1
                       0 -1  0   0 -1  1   1 -1  0       0  1  0   0  1 -1  -1  1  0
                      -1  0  1  -1  0  0  -1  1  0       1  0 -1   1  0  0   1 -1  0
                       0  1  0   1  0  0   0  0  1       0 -1  0  -1  0  0   0  0 -1
                       0  0 -1   0  1 -1   1  0 -1       0  0  1   0 -1  1  -1  0  1
                       1 -1  0   0 -1  1   0 -1  0      -1  1  0   0  1 -1   0  1  0
                       0  0  1   1  0  0   0  1  0       0  0 -1  -1  0  0   0 -1  0
                      -1  1  0  -1  0  0  -1  0  1       1 -1  0   1  0  0   1  0 -1
                       0  0  1   0  1  0   1  0  0       0  0 -1   0 -1  0  -1  0  0
                       1 -1  0   0 -1  0   0 -1  1      -1  1  0   0  1  0   0  1 -1
                       0  0 -1   1  0 -1   0  1 -1       0  0  1  -1  0  1   0 -1  1
                      -1  1  0  -1  0  1  -1  0  0       1 -1  0   1  0 -1   1  0  0
            tnons      0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
                       0.0000000  0.0000000  0.0000000     0.0000000  0.0000000  0.0000000
                       0.0000000  0.5000000  0.0000000     0.0000000  0.5000000  0.0000000
                       0.0000000  0.0000000  0.5000000     0.0000000  0.0000000  0.5000000
                       0.5000000  0.0000000  0.0000000     0.5000000  0.0000000  0.0000000
           tolwfr      1.00000000E-13
            typat      1  1
              wtk        0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100    0.00100    0.00100    0.00100    0.00100
                         0.00100    0.00100
                       outvars : Printing only first  50 k-points.
           xangst     -6.7874914660E-01 -6.7874914660E-01 -6.7874914660E-01
                       6.7874914660E-01  6.7874914660E-01  6.7874914660E-01
            xcart     -1.2826500000E+00 -1.2826500000E+00 -1.2826500000E+00
                       1.2826500000E+00  1.2826500000E+00  1.2826500000E+00
             xred     -1.2500000000E-01 -1.2500000000E-01 -1.2500000000E-01
                       1.2500000000E-01  1.2500000000E-01  1.2500000000E-01
            znucl       14.00000
 
================================================================================


- Timing analysis has been suppressed with timopt=0



================================================================================

 Suggested references for the acknowledgment of ABINIT usage.

 The users of ABINIT have little formal obligations with respect to the ABINIT group
 (those specified in the GNU General Public License, http://www.gnu.org/copyleft/gpl.txt).
 However, it is common practice in the scientific literature,
 to acknowledge the efforts of people that have made the research possible.
 In this spirit, please find below suggested citations of work written by ABINIT developers,
 corresponding to implementations inside of ABINIT that you have used in the present run.
 Note also that it will be of great value to readers of publications presenting these results,
 to read papers enabling them to understand the theoretical formalism and details
 of the ABINIT implementation.
 For information on why they are suggested, see also http://www.abinit.org/about/?text=acknowledgments.

 [1] Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems, 
 using density-functional theory.
 M. Fuchs, M. Scheffler, Comput. Phys. Commun. 119, 67 (1999).
 Comment : Some pseudopotential generated using the FHI code were used.

 [2] ABINIT : First-principles approach of materials and nanosystem properties.
 X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval,
 D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi
 S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet,
 M.J.T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf,
 M. Torrent, M.J. Verstraete, G. Zerah, J.W. Zwanziger
 Computer Phys. Comm. 180, 2582-2615 (2009).
 Comment : the third generic paper describing the ABINIT project.
 Note that a version of this paper, that is not formatted for Computer Phys. Comm. 
 is available at http://www.abinit.org/about/ABINIT_CPC_v10.pdf .
 The licence allows the authors to put it on the Web.

 [3] A brief introduction to the ABINIT software package.
 X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R. Caracas, F. Jollet,
 M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval,
 L. Reining, R. Godby, G. Onida, D.R. Hamann, and D.C. Allan.
 Z. Kristallogr. 220, 558-562 (2005).
 Comment : the second generic paper describing the ABINIT project. Note that this paper
 should be cited especially if you are using the GW part of ABINIT, as several authors
 of this part are not in the list of authors of the first or third paper.
 The .pdf of the latter paper is available at http://www.abinit.org/about/zfk_0505-06_558-562.pdf.
 Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
 the licence allows the authors to put it on the Web).


 And optionally :

 [4] First-principles computation of material properties : the ABINIT software project. 
 X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic,
 M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan.
 Computational Materials Science 25, 478-492 (2002). http://dx.doi.org/10.1016/S0927-0256(02)00325-7
 Comment : the original paper describing the ABINIT project.

 [5] Fast radix 2, 3, 4 and 5 kernels for Fast Fourier Transformations
 on computers with overlapping multiply-add instructions.
 S. Goedecker, SIAM J. on Scientific Computing 18, 1605 (1997).
-
- Proc.   0 individual time (sec): cpu=         95.0  wall=         95.6
 
================================================================================
 
 Calculation completed.
.Delivered    0 WARNINGs and   0 COMMENTs to log file.
+Overall time at end (sec) : cpu=         95.0  wall=         95.6
