
.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 16h39 )
  
- 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 =        15  mffmem =         1
P  mgfft =        30   mkmem =      1000 mpssoang=         4     mpw =      1178
  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                     290.289 Mbytes of memory.
  Rough estimation (10% accuracy) of disk space for files :
_ WF disk file :    269.625 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  3.10000000E-02
                       4.70000000E-02  3.70000000E-02  1.31000000E-01
                       4.70000000E-02  3.70000000E-02  2.31000000E-01
                       4.70000000E-02  3.70000000E-02  3.31000000E-01
                       4.70000000E-02  3.70000000E-02  4.31000000E-01
                       4.70000000E-02  3.70000000E-02  5.31000000E-01
                       4.70000000E-02  3.70000000E-02  6.31000000E-01
                       4.70000000E-02  3.70000000E-02  7.31000000E-01
                       4.70000000E-02  3.70000000E-02  8.31000000E-01
                       4.70000000E-02  3.70000000E-02  9.31000000E-01
                       4.70000000E-02  1.37000000E-01  3.10000000E-02
                       4.70000000E-02  1.37000000E-01  1.31000000E-01
                       4.70000000E-02  1.37000000E-01  2.31000000E-01
                       4.70000000E-02  1.37000000E-01  3.31000000E-01
                       4.70000000E-02  1.37000000E-01  4.31000000E-01
                       4.70000000E-02  1.37000000E-01  5.31000000E-01
                       4.70000000E-02  1.37000000E-01  6.31000000E-01
                       4.70000000E-02  1.37000000E-01  7.31000000E-01
                       4.70000000E-02  1.37000000E-01  8.31000000E-01
                       4.70000000E-02  1.37000000E-01  9.31000000E-01
                       4.70000000E-02  2.37000000E-01  3.10000000E-02
                       4.70000000E-02  2.37000000E-01  1.31000000E-01
                       4.70000000E-02  2.37000000E-01  2.31000000E-01
                       4.70000000E-02  2.37000000E-01  3.31000000E-01
                       4.70000000E-02  2.37000000E-01  4.31000000E-01
                       4.70000000E-02  2.37000000E-01  5.31000000E-01
                       4.70000000E-02  2.37000000E-01  6.31000000E-01
                       4.70000000E-02  2.37000000E-01  7.31000000E-01
                       4.70000000E-02  2.37000000E-01  8.31000000E-01
                       4.70000000E-02  2.37000000E-01  9.31000000E-01
                       4.70000000E-02  3.37000000E-01  3.10000000E-02
                       4.70000000E-02  3.37000000E-01  1.31000000E-01
                       4.70000000E-02  3.37000000E-01  2.31000000E-01
                       4.70000000E-02  3.37000000E-01  3.31000000E-01
                       4.70000000E-02  3.37000000E-01  4.31000000E-01
                       4.70000000E-02  3.37000000E-01  5.31000000E-01
                       4.70000000E-02  3.37000000E-01  6.31000000E-01
                       4.70000000E-02  3.37000000E-01  7.31000000E-01
                       4.70000000E-02  3.37000000E-01  8.31000000E-01
                       4.70000000E-02  3.37000000E-01  9.31000000E-01
                       4.70000000E-02  4.37000000E-01  3.10000000E-02
                       4.70000000E-02  4.37000000E-01  1.31000000E-01
                       4.70000000E-02  4.37000000E-01  2.31000000E-01
                       4.70000000E-02  4.37000000E-01  3.31000000E-01
                       4.70000000E-02  4.37000000E-01  4.31000000E-01
                       4.70000000E-02  4.37000000E-01  5.31000000E-01
                       4.70000000E-02  4.37000000E-01  6.31000000E-01
                       4.70000000E-02  4.37000000E-01  7.31000000E-01
                       4.70000000E-02  4.37000000E-01  8.31000000E-01
                       4.70000000E-02  4.37000000E-01  9.31000000E-01
                       outvar_i_n : Printing only first  50 k-points.
           kptopt           0
P           mkmem        1000
            natom           2
            nband          15
           nbdbuf           4
            ngfft          30      30      30
             nkpt        1000
            nline           6
             nsym          48
           ntypat           1
              occ      2.000000  2.000000  2.000000  2.000000  0.000000  0.000000
                       0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
                       0.000000  0.000000  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     15 bands with npw=    1166 for ikpt=   1 by node    0
P newkpt: treating     15 bands with npw=    1171 for ikpt=   2 by node    0
P newkpt: treating     15 bands with npw=    1162 for ikpt=   3 by node    0
P newkpt: treating     15 bands with npw=    1155 for ikpt=   4 by node    0
P newkpt: treating     15 bands with npw=    1156 for ikpt=   5 by node    0
P newkpt: treating     15 bands with npw=    1164 for ikpt=   6 by node    0
P newkpt: treating     15 bands with npw=    1157 for ikpt=   7 by node    0
P newkpt: treating     15 bands with npw=    1155 for ikpt=   8 by node    0
P newkpt: treating     15 bands with npw=    1163 for ikpt=   9 by node    0
P newkpt: treating     15 bands with npw=    1171 for ikpt=  10 by node    0
P newkpt: treating     15 bands with npw=    1168 for ikpt=  11 by node    0
P newkpt: treating     15 bands with npw=    1168 for ikpt=  12 by node    0
P newkpt: treating     15 bands with npw=    1163 for ikpt=  13 by node    0
P newkpt: treating     15 bands with npw=    1153 for ikpt=  14 by node    0
P newkpt: treating     15 bands with npw=    1150 for ikpt=  15 by node    0
P newkpt: treating     15 bands with npw=    1156 for ikpt=  16 by node    0
P newkpt: treating     15 bands with npw=    1153 for ikpt=  17 by node    0
P newkpt: treating     15 bands with npw=    1151 for ikpt=  18 by node    0
P newkpt: treating     15 bands with npw=    1152 for ikpt=  19 by node    0
P newkpt: treating     15 bands with npw=    1163 for ikpt=  20 by node    0
P newkpt: treating     15 bands with npw=    1161 for ikpt=  21 by node    0
P newkpt: treating     15 bands with npw=    1162 for ikpt=  22 by node    0
P newkpt: treating     15 bands with npw=    1155 for ikpt=  23 by node    0
P newkpt: treating     15 bands with npw=    1151 for ikpt=  24 by node    0
P newkpt: treating     15 bands with npw=    1157 for ikpt=  25 by node    0
P newkpt: treating     15 bands with npw=    1148 for ikpt=  26 by node    0
P newkpt: treating     15 bands with npw=    1153 for ikpt=  27 by node    0
P newkpt: treating     15 bands with npw=    1153 for ikpt=  28 by node    0
P newkpt: treating     15 bands with npw=    1155 for ikpt=  29 by node    0
P newkpt: treating     15 bands with npw=    1152 for ikpt=  30 by node    0
P newkpt: treating     15 bands with npw=    1155 for ikpt=  31 by node    0
P newkpt: treating     15 bands with npw=    1156 for ikpt=  32 by node    0
P newkpt: treating     15 bands with npw=    1149 for ikpt=  33 by node    0
P newkpt: treating     15 bands with npw=    1147 for ikpt=  34 by node    0
P newkpt: treating     15 bands with npw=    1154 for ikpt=  35 by node    0
P newkpt: treating     15 bands with npw=    1152 for ikpt=  36 by node    0
P newkpt: treating     15 bands with npw=    1151 for ikpt=  37 by node    0
P newkpt: treating     15 bands with npw=    1151 for ikpt=  38 by node    0
P newkpt: treating     15 bands with npw=    1156 for ikpt=  39 by node    0
P newkpt: treating     15 bands with npw=    1148 for ikpt=  40 by node    0
P newkpt: treating     15 bands with npw=    1157 for ikpt=  41 by node    0
P newkpt: treating     15 bands with npw=    1151 for ikpt=  42 by node    0
P newkpt: treating     15 bands with npw=    1159 for ikpt=  43 by node    0
P newkpt: treating     15 bands with npw=    1155 for ikpt=  44 by node    0
P newkpt: treating     15 bands with npw=    1157 for ikpt=  45 by node    0
P newkpt: treating     15 bands with npw=    1150 for ikpt=  46 by node    0
P newkpt: treating     15 bands with npw=    1150 for ikpt=  47 by node    0
P newkpt: treating     15 bands with npw=    1153 for ikpt=  48 by node    0
P newkpt: treating     15 bands with npw=    1151 for ikpt=  49 by node    0
P newkpt: treating     15 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  0.03100), residuals and eigenvalues=
  7.90E-14  1.06E-14  6.92E-14  8.13E-14  7.26E-15  1.53E-14  8.29E-14  5.59E-14
  6.27E-14  4.93E-14  4.77E-14  2.72E-14  1.62E-14  8.36E-14  5.25E-14
 -2.0979E-01  2.2051E-01  2.2652E-01  2.2839E-01  3.2364E-01  3.2497E-01
  3.2611E-01  3.4954E-01  5.1057E-01  5.1332E-01  5.1363E-01  6.3625E-01
  6.4201E-01  6.4566E-01  7.8752E-01
 Non-SCF case, kpt    2 (  0.04700  0.03700  0.13100), residuals and eigenvalues=
  5.31E-14  6.34E-14  2.03E-14  1.29E-14  7.46E-14  6.82E-14  1.87E-14  8.70E-14
  3.90E-15  6.48E-14  6.98E-14  1.14E-14  3.79E-14  5.66E-14  1.47E-13
 -2.0468E-01  1.8297E-01  2.1099E-01  2.2500E-01  3.2529E-01  3.3026E-01
  3.3816E-01  3.8483E-01  4.9056E-01  5.0774E-01  5.3434E-01  6.2649E-01
  6.5796E-01  6.8255E-01  8.2047E-01
  prteigrs : nnsclo,ikpt=   30    2 max resid (incl. the buffer)=  1.46697E-13
 Non-SCF case, kpt    3 (  0.04700  0.03700  0.23100), residuals and eigenvalues=
  4.12E-14  3.23E-14  4.62E-14  4.30E-14  4.92E-14  1.36E-14  5.65E-14  4.70E-14
  8.16E-14  1.09E-14  8.75E-15  5.93E-14  5.83E-14  3.44E-13  5.77E-07
 -1.9019E-01  1.1583E-01  1.9517E-01  2.1255E-01  3.1232E-01  3.4687E-01
  3.5880E-01  4.4198E-01  4.7678E-01  5.0497E-01  5.6140E-01  6.2769E-01
  7.1824E-01  7.4872E-01  8.7995E-01
  prteigrs : nnsclo,ikpt=   30    3 max resid (incl. the buffer)=  5.76583E-07
 Non-SCF case, kpt    4 (  0.04700  0.03700  0.33100), residuals and eigenvalues=
  6.09E-14  1.12E-14  8.08E-14  1.18E-14  6.69E-14  8.74E-14  1.36E-14  3.96E-14
  8.56E-14  7.63E-14  1.58E-14  2.39E-14  6.50E-14  2.12E-13  5.78E-10
 -1.6731E-01  5.0847E-02  1.8376E-01  1.9910E-01  2.9913E-01  3.5504E-01
  3.6339E-01  4.8554E-01  4.9848E-01  5.3960E-01  5.5220E-01  6.9610E-01
  7.6070E-01  7.9395E-01  8.3631E-01
  prteigrs : nnsclo,ikpt=   30    4 max resid (incl. the buffer)=  5.78158E-10
 Non-SCF case, kpt    5 (  0.04700  0.03700  0.43100), residuals and eigenvalues=
  1.15E-14  7.96E-14  6.90E-14  9.10E-14  9.77E-15  1.41E-14  1.38E-14  3.23E-14
  2.43E-14  1.69E-14  3.84E-14  1.58E-14  2.22E-14  6.61E-14  3.18E-14
 -1.3976E-01 -2.7956E-03  1.7807E-01  1.8898E-01  2.9058E-01  3.5327E-01
  3.5669E-01  5.1142E-01  5.4474E-01  5.6585E-01  6.0692E-01  6.8532E-01
  7.2478E-01  7.3985E-01  8.4297E-01
 Non-SCF case, kpt    6 (  0.04700  0.03700  0.53100), residuals and eigenvalues=
  3.93E-14  7.14E-15  6.20E-14  3.80E-14  4.15E-14  1.55E-14  2.23E-14  8.97E-15
  2.34E-14  1.74E-14  2.63E-14  2.35E-14  3.62E-14  3.27E-14  1.82E-09
 -1.2387E-01 -2.7156E-02  1.7807E-01  1.8377E-01  2.8782E-01  3.5011E-01
  3.5473E-01  5.1023E-01  5.9418E-01  6.1072E-01  6.3913E-01  6.4885E-01
  6.6019E-01  6.9952E-01  9.2597E-01
  prteigrs : nnsclo,ikpt=   30    6 max resid (incl. the buffer)=  1.81788E-09
 Non-SCF case, kpt    7 (  0.04700  0.03700  0.63100), residuals and eigenvalues=
  1.43E-14  5.68E-14  2.11E-14  5.55E-14  5.67E-14  6.62E-14  9.00E-14  5.91E-14
  7.03E-14  7.51E-14  3.54E-14  2.64E-14  9.68E-14  2.20E-14  2.48E-13
 -1.4136E-01 -1.2264E-04  1.8200E-01  1.8550E-01  2.9106E-01  3.5045E-01
  3.6031E-01  5.0795E-01  5.4081E-01  5.7274E-01  5.9683E-01  6.9669E-01
  7.1433E-01  7.5009E-01  8.3991E-01
  prteigrs : nnsclo,ikpt=   30    7 max resid (incl. the buffer)=  2.48307E-13
 Non-SCF case, kpt    8 (  0.04700  0.03700  0.73100), residuals and eigenvalues=
  4.97E-14  4.03E-14  1.31E-14  9.14E-14  2.73E-14  9.22E-15  2.88E-14  3.41E-14
  2.94E-14  4.09E-14  8.02E-15  1.99E-14  9.65E-13  3.62E-11  2.35E-06
 -1.6888E-01  5.4503E-02  1.8844E-01  1.9532E-01  2.9999E-01  3.5213E-01
  3.6686E-01  4.7322E-01  5.1603E-01  5.2747E-01  5.5158E-01  6.9216E-01
  7.6352E-01  7.9130E-01  8.4348E-01
  prteigrs : nnsclo,ikpt=   30    8 max resid (incl. the buffer)=  2.34705E-06
 Non-SCF case, kpt    9 (  0.04700  0.03700  0.83100), residuals and eigenvalues=
  3.46E-14  1.66E-14  4.16E-14  1.14E-14  9.35E-14  5.68E-14  6.79E-15  8.37E-14
  1.33E-14  6.80E-15  3.68E-14  2.23E-13  3.73E-14  2.09E-13  1.05E-08
 -1.9131E-01  1.1995E-01  1.9981E-01  2.0909E-01  3.1309E-01  3.4329E-01
  3.6160E-01  4.3636E-01  4.8040E-01  5.0304E-01  5.6103E-01  6.2522E-01
  7.1661E-01  7.4121E-01  8.7841E-01
  prteigrs : nnsclo,ikpt=   30    9 max resid (incl. the buffer)=  1.04787E-08
 Non-SCF case, kpt   10 (  0.04700  0.03700  0.93100), residuals and eigenvalues=
  9.47E-14  2.45E-14  6.23E-14  2.05E-14  2.07E-14  9.28E-14  3.86E-14  3.14E-14
  6.57E-14  6.25E-14  3.20E-14  4.01E-15  2.19E-14  2.21E-14  8.85E-14
 -2.0526E-01  1.8729E-01  2.1470E-01  2.2168E-01  3.2100E-01  3.3152E-01
  3.4161E-01  3.7996E-01  4.8958E-01  5.1132E-01  5.3220E-01  6.2796E-01
  6.5819E-01  6.7521E-01  8.1767E-01
 Non-SCF case, kpt   11 (  0.04700  0.13700  0.03100), residuals and eigenvalues=
  1.70E-14  5.05E-14  8.74E-14  2.80E-14  1.96E-14  4.38E-14  2.46E-14  4.78E-15
  2.19E-14  3.24E-14  3.10E-14  5.76E-15  3.66E-14  3.76E-14  3.89E-14
 -2.0391E-01  1.7809E-01  2.1050E-01  2.2363E-01  3.2386E-01  3.3115E-01
  3.4090E-01  3.8898E-01  4.8862E-01  5.0709E-01  5.3712E-01  6.2434E-01
  6.6266E-01  6.8616E-01  8.2482E-01
 Non-SCF case, kpt   12 (  0.04700  0.13700  0.13100), residuals and eigenvalues=
  1.61E-14  2.33E-14  2.06E-14  2.57E-14  6.60E-14  2.50E-14  3.46E-14  4.34E-14
  9.40E-14  8.69E-14  8.99E-14  5.11E-14  7.02E-14  2.18E-14  4.73E-13
 -2.0201E-01  1.7839E-01  2.0432E-01  2.0904E-01  3.0969E-01  3.4879E-01
  3.5690E-01  3.8774E-01  4.7328E-01  5.2025E-01  5.4474E-01  6.3971E-01
  6.5854E-01  6.8215E-01  8.3992E-01
  prteigrs : nnsclo,ikpt=   30   12 max resid (incl. the buffer)=  4.72569E-13
 Non-SCF case, kpt   13 (  0.04700  0.13700  0.23100), residuals and eigenvalues=
  2.02E-14  8.35E-14  6.07E-14  6.12E-14  9.71E-14  4.59E-14  7.26E-14  7.89E-14
  4.63E-14  2.37E-14  1.78E-14  6.71E-14  1.97E-13  2.96E-14  9.42E-06
 -1.9061E-01  1.3369E-01  1.7806E-01  2.0142E-01  3.1008E-01  3.5650E-01
  3.7925E-01  4.0668E-01  4.7664E-01  5.2547E-01  5.7905E-01  6.4077E-01
  6.8309E-01  7.3592E-01  8.9155E-01
  prteigrs : nnsclo,ikpt=   30   13 max resid (incl. the buffer)=  9.41823E-06
 Non-SCF case, kpt   14 (  0.04700  0.13700  0.33100), residuals and eigenvalues=
  4.00E-14  5.37E-14  2.02E-14  1.41E-14  5.44E-14  2.07E-14  2.72E-14  1.13E-14
  1.67E-14  7.12E-15  2.55E-14  1.86E-14  6.58E-14  9.17E-14  3.67E-13
 -1.7038E-01  7.1886E-02  1.6203E-01  1.8802E-01  3.1701E-01  3.5526E-01
  3.9129E-01  4.1507E-01  5.1395E-01  5.5946E-01  5.8328E-01  6.7654E-01
  7.3843E-01  7.9780E-01  8.1417E-01
  prteigrs : nnsclo,ikpt=   30   14 max resid (incl. the buffer)=  3.66958E-13
 Non-SCF case, kpt   15 (  0.04700  0.13700  0.43100), residuals and eigenvalues=
  1.42E-14  5.90E-14  4.96E-14  9.05E-15  4.26E-14  2.82E-14  1.12E-14  8.45E-14
  2.51E-14  3.30E-14  3.51E-14  5.88E-14  3.41E-14  6.39E-14  2.74E-10
 -1.4359E-01  1.5190E-02  1.5209E-01  1.7665E-01  3.1349E-01  3.5141E-01
  3.8663E-01  4.5430E-01  5.5435E-01  5.7556E-01  6.2243E-01  6.7972E-01
  7.2700E-01  7.8734E-01  8.4754E-01
  prteigrs : nnsclo,ikpt=   30   15 max resid (incl. the buffer)=  2.73897E-10
 Non-SCF case, kpt   16 (  0.04700  0.13700  0.53100), residuals and eigenvalues=
  3.32E-14  1.02E-14  8.08E-14  7.09E-14  1.94E-14  1.65E-14  7.26E-14  1.09E-14
  2.01E-14  6.54E-14  5.00E-14  8.00E-14  3.38E-14  2.90E-14  3.17E-10
 -1.2035E-01 -2.1849E-02  1.4569E-01  1.7328E-01  3.1146E-01  3.4701E-01
  3.7982E-01  5.0992E-01  5.5002E-01  5.9913E-01  6.4276E-01  6.5877E-01
  6.9678E-01  7.5702E-01  8.9800E-01
  prteigrs : nnsclo,ikpt=   30   16 max resid (incl. the buffer)=  3.17060E-10
 Non-SCF case, kpt   17 (  0.04700  0.13700  0.63100), residuals and eigenvalues=
  6.20E-15  2.21E-14  1.78E-14  4.90E-14  6.11E-14  8.37E-14  2.06E-14  2.69E-14
  3.07E-14  1.32E-14  4.29E-14  8.95E-14  5.51E-14  1.43E-14  4.50E-14
 -1.2762E-01 -1.1116E-02  1.4309E-01  1.7874E-01  3.1444E-01  3.4782E-01
  3.7828E-01  5.0427E-01  5.4734E-01  5.7256E-01  6.3276E-01  6.8020E-01
  7.1682E-01  7.6735E-01  8.5499E-01
 Non-SCF case, kpt   18 (  0.04700  0.13700  0.73100), residuals and eigenvalues=
  4.48E-14  9.55E-14  1.47E-14  3.62E-14  6.87E-14  5.70E-14  7.11E-14  9.88E-14
  9.36E-15  1.47E-14  2.48E-14  8.80E-14  3.55E-14  8.31E-14  3.34E-12
 -1.5467E-01  3.6336E-02  1.4638E-01  1.9071E-01  3.2185E-01  3.5165E-01
  3.8120E-01  4.5264E-01  5.0826E-01  5.7525E-01  6.1161E-01  6.8777E-01
  7.4141E-01  7.9955E-01  8.2184E-01
  prteigrs : nnsclo,ikpt=   30   18 max resid (incl. the buffer)=  3.34020E-12
 Non-SCF case, kpt   19 (  0.04700  0.13700  0.83100), residuals and eigenvalues=
  6.58E-14  1.31E-14  5.05E-14  2.96E-14  4.70E-14  5.21E-14  1.77E-14  2.35E-14
  7.20E-14  2.34E-14  1.57E-14  2.95E-13  1.45E-13  2.65E-13  3.16E-11
 -1.7936E-01  9.5838E-02  1.5785E-01  2.0559E-01  3.3002E-01  3.4696E-01
  3.7745E-01  4.2396E-01  4.7572E-01  5.4895E-01  5.8971E-01  6.5012E-01
  7.1573E-01  7.9379E-01  8.2260E-01
  prteigrs : nnsclo,ikpt=   30   19 max resid (incl. the buffer)=  3.15860E-11
 Non-SCF case, kpt   20 (  0.04700  0.13700  0.93100), residuals and eigenvalues=
  8.95E-14  1.78E-14  3.56E-14  4.14E-14  2.05E-14  6.35E-14  6.77E-14  2.07E-14
  3.76E-14  7.89E-14  8.46E-14  1.21E-13  1.20E-13  2.13E-12  1.38E-11
 -1.9623E-01  1.4972E-01  1.8475E-01  2.1623E-01  3.2225E-01  3.4254E-01
  3.5816E-01  4.1276E-01  4.7070E-01  5.1508E-01  5.6314E-01  6.3440E-01
  6.6820E-01  7.2546E-01  8.6620E-01
  prteigrs : nnsclo,ikpt=   30   20 max resid (incl. the buffer)=  1.38135E-11
 Non-SCF case, kpt   21 (  0.04700  0.23700  0.03100), residuals and eigenvalues=
  5.04E-15  8.63E-14  4.81E-14  2.22E-14  4.06E-14  2.49E-14  6.91E-14  3.83E-14
  6.87E-14  5.08E-15  1.77E-14  5.22E-14  6.60E-13  1.26E-12  8.74E-06
 -1.8870E-01  1.1042E-01  1.9517E-01  2.1070E-01  3.1080E-01  3.4761E-01
  3.6047E-01  4.4568E-01  4.7841E-01  5.0532E-01  5.6076E-01  6.3140E-01
  7.2460E-01  7.5327E-01  8.8142E-01
  prteigrs : nnsclo,ikpt=   30   21 max resid (incl. the buffer)=  8.74438E-06
 Non-SCF case, kpt   22 (  0.04700  0.23700  0.13100), residuals and eigenvalues=
  7.54E-15  8.62E-15  2.76E-14  6.03E-14  4.11E-14  3.94E-14  2.44E-14  1.32E-14
  7.06E-14  5.79E-14  3.14E-14  4.02E-14  1.75E-13  3.43E-14  4.78E-07
 -1.8987E-01  1.2948E-01  1.7776E-01  2.0238E-01  3.1295E-01  3.5347E-01
  3.7849E-01  4.0941E-01  4.7801E-01  5.2475E-01  5.7952E-01  6.3872E-01
  6.8776E-01  7.4159E-01  8.8631E-01
  prteigrs : nnsclo,ikpt=   30   22 max resid (incl. the buffer)=  4.78285E-07
 Non-SCF case, kpt   23 (  0.04700  0.23700  0.23100), residuals and eigenvalues=
  4.52E-14  2.07E-14  1.99E-14  1.83E-14  2.92E-14  1.53E-14  4.67E-14  1.61E-14
  1.56E-14  1.18E-14  8.42E-14  3.00E-14  4.17E-14  3.72E-14  9.62E-06
 -1.8157E-01  1.2085E-01  1.7067E-01  1.7234E-01  2.8248E-01  3.6502E-01
  4.0896E-01  4.1284E-01  4.9426E-01  5.4530E-01  6.0860E-01  6.7395E-01
  6.9179E-01  7.2504E-01  8.8311E-01
  prteigrs : nnsclo,ikpt=   30   23 max resid (incl. the buffer)=  9.62063E-06
 Non-SCF case, kpt   24 (  0.04700  0.23700  0.33100), residuals and eigenvalues=
  1.33E-14  7.35E-14  8.72E-14  9.96E-15  4.92E-14  3.21E-14  8.73E-14  6.61E-14
  3.17E-14  1.91E-14  2.34E-14  5.24E-14  2.11E-14  1.82E-14  2.36E-12
 -1.6420E-01  8.0625E-02  1.4586E-01  1.6278E-01  2.8511E-01  3.4853E-01
  4.1685E-01  4.3998E-01  5.3707E-01  5.7263E-01  6.3758E-01  6.8595E-01
  7.2314E-01  7.7498E-01  8.0893E-01
  prteigrs : nnsclo,ikpt=   30   24 max resid (incl. the buffer)=  2.35576E-12
 Non-SCF case, kpt   25 (  0.04700  0.23700  0.43100), residuals and eigenvalues=
  6.72E-15  1.20E-14  5.69E-14  1.66E-14  2.30E-14  5.21E-14  5.55E-14  3.96E-14
  2.34E-14  8.15E-14  6.61E-14  3.92E-14  6.56E-14  9.77E-14  1.67E-13
 -1.3918E-01  3.1177E-02  1.2384E-01  1.5340E-01  2.9451E-01  3.7048E-01
  4.0606E-01  4.4352E-01  5.8667E-01  6.1977E-01  6.3625E-01  6.8454E-01
  7.2816E-01  7.7483E-01  8.2896E-01
  prteigrs : nnsclo,ikpt=   30   25 max resid (incl. the buffer)=  1.67415E-13
 Non-SCF case, kpt   26 (  0.04700  0.23700  0.53100), residuals and eigenvalues=
  8.19E-15  1.66E-14  1.40E-14  9.99E-14  2.00E-14  4.39E-14  4.45E-14  9.22E-14
  3.83E-14  5.75E-14  5.66E-14  3.35E-14  8.48E-14  4.08E-13  5.71E-10
 -1.1235E-01 -1.0616E-02  1.0624E-01  1.5278E-01  2.9789E-01  3.9324E-01
  4.2803E-01  4.3606E-01  5.7130E-01  6.1805E-01  6.5644E-01  6.8074E-01
  7.1038E-01  8.4336E-01  8.7302E-01
  prteigrs : nnsclo,ikpt=   30   26 max resid (incl. the buffer)=  5.71473E-10
 Non-SCF case, kpt   27 (  0.04700  0.23700  0.63100), residuals and eigenvalues=
  6.44E-14  2.50E-14  1.45E-14  8.40E-15  1.93E-14  7.25E-14  4.84E-14  6.57E-14
  1.13E-14  1.12E-14  5.31E-14  7.05E-14  5.04E-14  8.66E-14  8.63E-13
 -1.0787E-01 -1.6516E-02  9.6060E-02  1.6077E-01  3.0684E-01  3.8516E-01
  4.2895E-01  4.9663E-01  5.0658E-01  5.5797E-01  6.5962E-01  7.3179E-01
  7.8116E-01  7.8856E-01  8.4512E-01
  prteigrs : nnsclo,ikpt=   30   27 max resid (incl. the buffer)=  8.62810E-13
 Non-SCF case, kpt   28 (  0.04700  0.23700  0.73100), residuals and eigenvalues=
  2.46E-14  5.69E-14  4.42E-14  1.10E-14  2.71E-14  3.79E-14  4.69E-14  7.74E-14
  3.81E-14  9.13E-14  6.54E-14  3.76E-14  2.07E-14  2.15E-11  1.40E-08
 -1.3248E-01  1.9605E-02  9.6784E-02  1.7535E-01  3.2244E-01  3.7902E-01
  4.2257E-01  4.4405E-01  4.9960E-01  5.7422E-01  6.6996E-01  7.0842E-01
  7.4348E-01  8.0883E-01  8.4614E-01
  prteigrs : nnsclo,ikpt=   30   28 max resid (incl. the buffer)=  1.40249E-08
 Non-SCF case, kpt   29 (  0.04700  0.23700  0.83100), residuals and eigenvalues=
  1.97E-14  1.39E-14  3.28E-14  2.85E-14  7.65E-14  7.92E-14  5.47E-14  1.78E-14
  5.74E-15  2.60E-14  5.80E-14  1.62E-14  6.46E-14  4.70E-14  2.18E-11
 -1.5873E-01  6.0957E-02  1.1772E-01  1.9260E-01  3.3862E-01  3.5891E-01
  4.0315E-01  4.1788E-01  4.7443E-01  6.1597E-01  6.2434E-01  6.6676E-01
  7.2898E-01  7.7601E-01  8.4132E-01
  prteigrs : nnsclo,ikpt=   30   29 max resid (incl. the buffer)=  2.18188E-11
 Non-SCF case, kpt   30 (  0.04700  0.23700  0.93100), residuals and eigenvalues=
  3.35E-14  7.46E-14  8.24E-14  5.23E-14  1.25E-14  9.00E-14  5.43E-14  2.00E-14
  3.06E-14  3.44E-14  1.13E-14  1.64E-14  4.03E-14  6.96E-14  2.34E-12
 -1.7812E-01  8.7897E-02  1.6588E-01  2.0363E-01  3.2343E-01  3.4770E-01
  3.7613E-01  4.3125E-01  4.8308E-01  5.4503E-01  5.7919E-01  6.5648E-01
  7.2814E-01  7.9416E-01  8.2553E-01
  prteigrs : nnsclo,ikpt=   30   30 max resid (incl. the buffer)=  2.33546E-12
 Non-SCF case, kpt   31 (  0.04700  0.33700  0.03100), residuals and eigenvalues=
  3.84E-14  2.86E-14  1.26E-14  1.84E-14  7.09E-14  3.98E-14  5.66E-14  1.33E-14
  2.37E-14  1.82E-14  7.47E-14  1.30E-13  3.17E-12  2.30E-11  3.71E-07
 -1.6524E-01  4.5996E-02  1.8420E-01  1.9748E-01  2.9789E-01  3.5449E-01
  3.6362E-01  4.8658E-01  5.0592E-01  5.3986E-01  5.5314E-01  7.0201E-01
  7.5904E-01  7.9049E-01  8.3858E-01
  prteigrs : nnsclo,ikpt=   30   31 max resid (incl. the buffer)=  3.71076E-07
 Non-SCF case, kpt   32 (  0.04700  0.33700  0.13100), residuals and eigenvalues=
  7.72E-15  4.44E-14  5.26E-14  8.00E-14  1.21E-14  1.85E-14  3.96E-14  1.08E-14
  6.91E-15  8.33E-15  1.10E-14  1.12E-13  2.82E-12  2.32E-11  1.11E-09
 -1.6898E-01  6.7037E-02  1.6273E-01  1.8867E-01  3.1756E-01  3.5320E-01
  3.8876E-01  4.2093E-01  5.1482E-01  5.6186E-01  5.7933E-01  6.8090E-01
  7.4127E-01  7.9906E-01  8.1420E-01
  prteigrs : nnsclo,ikpt=   30   32 max resid (incl. the buffer)=  1.11003E-09
 Non-SCF case, kpt   33 (  0.04700  0.33700  0.23100), residuals and eigenvalues=
  5.56E-15  6.40E-14  2.19E-14  1.57E-14  8.88E-14  7.17E-14  5.03E-14  8.93E-14
  1.24E-14  2.84E-14  2.83E-14  3.70E-14  3.36E-14  8.96E-14  1.09E-13
 -1.6351E-01  7.8040E-02  1.4483E-01  1.6345E-01  2.8810E-01  3.5156E-01
  4.1266E-01  4.3791E-01  5.3850E-01  5.7502E-01  6.3452E-01  6.8598E-01
  7.2537E-01  7.7897E-01  8.0545E-01
  prteigrs : nnsclo,ikpt=   30   33 max resid (incl. the buffer)=  1.08813E-13
 Non-SCF case, kpt   34 (  0.04700  0.33700  0.33100), residuals and eigenvalues=
  7.08E-15  5.84E-14  8.87E-14  6.55E-14  6.65E-14  7.69E-14  8.47E-14  6.13E-14
  1.50E-14  3.00E-14  6.00E-14  5.47E-14  6.19E-14  5.81E-14  4.54E-07
 -1.4898E-01  5.8069E-02  1.4205E-01  1.4562E-01  2.6096E-01  3.1318E-01
  4.7185E-01  4.7536E-01  5.6787E-01  5.8545E-01  6.7800E-01  7.2197E-01
  7.2438E-01  7.6667E-01  8.1545E-01
  prteigrs : nnsclo,ikpt=   30   34 max resid (incl. the buffer)=  4.53650E-07
 Non-SCF case, kpt   35 (  0.04700  0.33700  0.43100), residuals and eigenvalues=
  4.09E-15  3.96E-14  1.25E-14  8.57E-14  5.95E-14  2.40E-14  6.73E-14  1.95E-14
  1.83E-14  1.10E-14  7.58E-14  3.93E-14  3.12E-14  2.60E-14  5.06E-11
 -1.2626E-01  2.3356E-02  1.2198E-01  1.3554E-01  2.6826E-01  3.0517E-01
  4.7565E-01  5.0606E-01  6.0425E-01  6.3897E-01  6.5860E-01  7.0381E-01
  7.4816E-01  7.6743E-01  8.1445E-01
  prteigrs : nnsclo,ikpt=   30   35 max resid (incl. the buffer)=  5.05965E-11
 Non-SCF case, kpt   36 (  0.04700  0.33700  0.53100), residuals and eigenvalues=
  7.20E-15  4.00E-14  3.86E-14  9.11E-14  2.13E-14  4.80E-14  2.97E-14  2.47E-14
  9.83E-15  2.68E-14  2.71E-14  8.90E-14  2.12E-14  8.33E-14  1.03E-09
 -9.8608E-02 -1.1414E-02  9.1485E-02  1.3459E-01  2.7628E-01  3.4593E-01
  4.6364E-01  5.0556E-01  5.8445E-01  6.3362E-01  6.6880E-01  7.1578E-01
  7.4771E-01  8.0305E-01  8.4537E-01
  prteigrs : nnsclo,ikpt=   30   36 max resid (incl. the buffer)=  1.03093E-09
 Non-SCF case, kpt   37 (  0.04700  0.33700  0.63100), residuals and eigenvalues=
  4.36E-14  8.43E-14  2.46E-14  6.97E-14  7.22E-15  1.69E-14  5.48E-14  1.36E-14
  9.13E-15  7.79E-14  4.86E-14  3.86E-14  5.42E-13  1.13E-12  1.96E-09
 -8.4386E-02 -2.6644E-02  7.1014E-02  1.4231E-01  2.8548E-01  4.1218E-01
  4.5233E-01  4.9412E-01  5.1102E-01  5.6209E-01  7.3881E-01  7.4158E-01
  7.9039E-01  8.2167E-01  8.4351E-01
  prteigrs : nnsclo,ikpt=   30   37 max resid (incl. the buffer)=  1.96487E-09
 Non-SCF case, kpt   38 (  0.04700  0.33700  0.73100), residuals and eigenvalues=
  3.16E-14  4.82E-14  2.13E-14  2.93E-14  6.17E-14  9.04E-14  3.15E-14  3.09E-14
  7.89E-14  8.01E-14  7.44E-14  2.67E-12  7.31E-11  4.70E-09  1.58E-06
 -1.0540E-01 -5.3123E-03  7.2066E-02  1.5717E-01  3.0239E-01  4.2180E-01
  4.5658E-01  4.6744E-01  4.9977E-01  5.1501E-01  7.2394E-01  7.5218E-01
  7.8458E-01  8.1028E-01  8.5091E-01
  prteigrs : nnsclo,ikpt=   30   38 max resid (incl. the buffer)=  1.58483E-06
 Non-SCF case, kpt   39 (  0.04700  0.33700  0.83100), residuals and eigenvalues=
  1.01E-14  4.82E-14  5.12E-14  1.20E-14  8.41E-14  1.06E-14  1.48E-14  1.26E-14
  6.79E-14  6.14E-14  8.32E-14  3.70E-14  4.30E-14  5.90E-13  5.67E-10
 -1.3181E-01  1.3672E-02  1.0464E-01  1.7580E-01  3.2255E-01  3.7059E-01
  4.1341E-01  4.5534E-01  5.1099E-01  5.7225E-01  6.5693E-01  7.0426E-01
  7.5844E-01  7.9534E-01  8.3996E-01
  prteigrs : nnsclo,ikpt=   30   39 max resid (incl. the buffer)=  5.66943E-10
 Non-SCF case, kpt   40 (  0.04700  0.33700  0.93100), residuals and eigenvalues=
  1.55E-14  2.17E-14  1.17E-14  2.26E-14  1.43E-14  2.59E-14  5.79E-14  5.86E-14
  2.88E-14  1.26E-14  4.47E-14  4.22E-14  6.33E-14  1.28E-13  1.57E-12
 -1.5256E-01  2.8058E-02  1.5635E-01  1.8958E-01  3.1422E-01  3.5066E-01
  3.7551E-01  4.6546E-01  5.2080E-01  5.6525E-01  6.0521E-01  6.9309E-01
  7.4328E-01  7.8884E-01  8.3272E-01
  prteigrs : nnsclo,ikpt=   30   40 max resid (incl. the buffer)=  1.57061E-12
 Non-SCF case, kpt   41 (  0.04700  0.43700  0.03100), residuals and eigenvalues=
  8.83E-14  1.98E-14  2.09E-14  3.41E-14  1.00E-14  3.36E-14  3.83E-14  3.22E-14
  5.89E-15  3.24E-14  8.03E-15  2.76E-13  1.93E-14  2.04E-14  8.04E-12
 -1.3771E-01 -6.2561E-03  1.7882E-01  1.8793E-01  2.8975E-01  3.5221E-01
  3.5691E-01  5.1112E-01  5.4934E-01  5.7204E-01  6.1028E-01  6.8103E-01
  7.1554E-01  7.3743E-01  8.4881E-01
  prteigrs : nnsclo,ikpt=   30   41 max resid (incl. the buffer)=  8.03511E-12
 Non-SCF case, kpt   42 (  0.04700  0.43700  0.13100), residuals and eigenvalues=
  3.36E-14  2.12E-14  5.76E-14  1.76E-14  2.89E-14  9.17E-14  2.53E-14  2.62E-14
  7.43E-14  8.38E-14  5.38E-14  3.09E-14  1.63E-13  3.67E-13  1.46E-07
 -1.4191E-01  1.1047E-02  1.5357E-01  1.7755E-01  3.1281E-01  3.4974E-01
  3.8336E-01  4.6273E-01  5.5259E-01  5.7577E-01  6.2546E-01  6.7574E-01
  7.2448E-01  7.8819E-01  8.4400E-01
  prteigrs : nnsclo,ikpt=   30   42 max resid (incl. the buffer)=  1.45977E-07
 Non-SCF case, kpt   43 (  0.04700  0.43700  0.23100), residuals and eigenvalues=
  4.20E-14  6.30E-15  3.58E-14  1.37E-14  6.58E-14  1.01E-14  1.56E-14  3.36E-14
  2.19E-14  1.85E-14  3.42E-14  2.63E-14  9.80E-14  7.03E-14  5.63E-13
 -1.3801E-01  2.7724E-02  1.2386E-01  1.5439E-01  2.9628E-01  3.7785E-01
  4.0136E-01  4.3939E-01  5.8867E-01  6.1489E-01  6.3998E-01  6.8017E-01
  7.2521E-01  7.7857E-01  8.3476E-01
  prteigrs : nnsclo,ikpt=   30   43 max resid (incl. the buffer)=  5.62908E-13
 Non-SCF case, kpt   44 (  0.04700  0.43700  0.33100), residuals and eigenvalues=
  3.38E-14  2.80E-14  2.69E-14  1.32E-14  5.68E-14  6.72E-14  7.92E-14  2.00E-14
  4.40E-14  1.30E-14  1.24E-14  2.38E-14  1.63E-14  8.71E-14  1.38E-10
 -1.2569E-01  2.2439E-02  1.1949E-01  1.3606E-01  2.7060E-01  3.0937E-01
  4.7081E-01  5.0320E-01  6.0614E-01  6.4329E-01  6.5345E-01  6.9976E-01
  7.5288E-01  7.6254E-01  8.1775E-01
  prteigrs : nnsclo,ikpt=   30   44 max resid (incl. the buffer)=  1.37684E-10
 Non-SCF case, kpt   45 (  0.04700  0.43700  0.43100), residuals and eigenvalues=
  6.30E-15  9.21E-15  2.71E-14  4.91E-14  6.44E-14  2.13E-14  7.60E-14  8.79E-15
  1.92E-14  2.85E-14  5.44E-14  1.09E-14  6.52E-14  4.75E-14  2.22E-12
 -1.0525E-01 -4.9234E-03  1.2479E-01  1.2968E-01  2.5145E-01  2.7532E-01
  5.3862E-01  5.4148E-01  6.3867E-01  6.4261E-01  6.7079E-01  6.7569E-01
  7.3585E-01  7.6627E-01  8.2497E-01
  prteigrs : nnsclo,ikpt=   30   45 max resid (incl. the buffer)=  2.22235E-12
 Non-SCF case, kpt   46 (  0.04700  0.43700  0.53100), residuals and eigenvalues=
  6.60E-14  1.05E-14  9.81E-14  3.90E-14  4.02E-14  2.09E-14  1.57E-14  4.06E-14
  1.83E-14  3.98E-14  1.76E-14  4.65E-14  6.91E-14  8.32E-14  3.23E-12
 -7.8337E-02 -3.4898E-02  1.0989E-01  1.2314E-01  2.6243E-01  2.8131E-01
  5.3894E-01  5.7086E-01  6.0165E-01  6.3644E-01  6.7446E-01  7.1158E-01
  7.2842E-01  7.6607E-01  8.4478E-01
  prteigrs : nnsclo,ikpt=   30   46 max resid (incl. the buffer)=  3.23287E-12
 Non-SCF case, kpt   47 (  0.04700  0.43700  0.63100), residuals and eigenvalues=
  1.69E-14  2.34E-14  6.01E-14  6.32E-14  3.48E-14  5.49E-14  1.99E-14  2.86E-14
  5.09E-14  5.85E-14  7.69E-14  9.80E-14  9.82E-14  4.30E-11  4.93E-09
 -6.6283E-02 -4.4224E-02  8.1401E-02  1.2951E-01  2.7069E-01  3.3917E-01
  5.1061E-01  5.2955E-01  5.5825E-01  5.8498E-01  7.2149E-01  7.5518E-01
  7.7405E-01  8.0727E-01  8.2425E-01
  prteigrs : nnsclo,ikpt=   30   47 max resid (incl. the buffer)=  4.93387E-09
 Non-SCF case, kpt   48 (  0.04700  0.43700  0.73100), residuals and eigenvalues=
  1.39E-14  2.95E-14  1.07E-14  8.51E-15  1.93E-14  5.87E-14  6.52E-14  6.19E-14
  5.07E-14  3.35E-14  5.03E-14  6.84E-14  3.28E-14  7.17E-10  4.18E-08
 -8.8768E-02 -2.4255E-02  7.5844E-02  1.4353E-01  2.8700E-01  4.1297E-01
  4.4105E-01  4.8333E-01  5.2266E-01  5.7538E-01  7.1905E-01  7.2737E-01
  7.7534E-01  8.4220E-01  8.6068E-01
  prteigrs : nnsclo,ikpt=   30   48 max resid (incl. the buffer)=  4.17684E-08
 Non-SCF case, kpt   49 (  0.04700  0.43700  0.83100), residuals and eigenvalues=
  1.12E-14  6.02E-14  3.78E-14  5.01E-14  3.43E-14  3.51E-14  2.12E-14  4.02E-14
  4.41E-14  3.42E-14  2.54E-14  8.72E-14  7.22E-14  2.25E-14  1.29E-13
 -1.0948E-01 -1.9576E-02  1.0603E-01  1.6266E-01  3.0890E-01  3.7480E-01
  4.1751E-01  5.0088E-01  5.1771E-01  5.7044E-01  6.4745E-01  7.1297E-01
  7.6583E-01  7.8031E-01  8.6793E-01
  prteigrs : nnsclo,ikpt=   30   49 max resid (incl. the buffer)=  1.29495E-13
 Non-SCF case, kpt   50 (  0.04700  0.43700  0.93100), residuals and eigenvalues=
  3.83E-14  3.40E-14  1.09E-14  1.12E-14  3.39E-14  4.62E-14  5.61E-14  9.19E-15
  2.71E-14  8.28E-15  3.60E-14  2.92E-14  1.53E-14  3.70E-14  1.11E-12
 -1.2638E-01 -1.6534E-02  1.5338E-01  1.7969E-01  3.0820E-01  3.4690E-01
  3.7085E-01  5.1312E-01  5.4897E-01  5.8519E-01  6.3303E-01  6.7188E-01
  6.9957E-01  7.5091E-01  8.7220E-01
  prteigrs : nnsclo,ikpt=   30   50 max resid (incl. the buffer)=  1.10862E-12
 prteigrs : prtvol=0 or 1, do not print more k-points.
 
  prteigrs : nnsclo,ikpt=   30   51 max resid (incl. the buffer)=  2.01887E-08
  prteigrs : nnsclo,ikpt=   30   52 max resid (incl. the buffer)=  9.84937E-11
  prteigrs : nnsclo,ikpt=   30   53 max resid (incl. the buffer)=  5.32819E-10
  prteigrs : nnsclo,ikpt=   30   54 max resid (incl. the buffer)=  1.41271E-10
  prteigrs : nnsclo,ikpt=   30   55 max resid (incl. the buffer)=  1.30697E-13
  prteigrs : nnsclo,ikpt=   30   56 max resid (incl. the buffer)=  8.38278E-07
  prteigrs : nnsclo,ikpt=   30   58 max resid (incl. the buffer)=  3.98976E-10
  prteigrs : nnsclo,ikpt=   30   59 max resid (incl. the buffer)=  6.00936E-08
  prteigrs : nnsclo,ikpt=   30   60 max resid (incl. the buffer)=  2.05031E-12
  prteigrs : nnsclo,ikpt=   30   62 max resid (incl. the buffer)=  1.53886E-12
  prteigrs : nnsclo,ikpt=   30   64 max resid (incl. the buffer)=  3.24277E-09
  prteigrs : nnsclo,ikpt=   30   65 max resid (incl. the buffer)=  7.31902E-10
  prteigrs : nnsclo,ikpt=   30   67 max resid (incl. the buffer)=  2.07354E-13
  prteigrs : nnsclo,ikpt=   30   68 max resid (incl. the buffer)=  2.91370E-11
  prteigrs : nnsclo,ikpt=   30   69 max resid (incl. the buffer)=  2.68671E-13
  prteigrs : nnsclo,ikpt=   30   70 max resid (incl. the buffer)=  1.06575E-10
  prteigrs : nnsclo,ikpt=   30   71 max resid (incl. the buffer)=  3.18955E-07
  prteigrs : nnsclo,ikpt=   30   72 max resid (incl. the buffer)=  4.32295E-11
  prteigrs : nnsclo,ikpt=   30   73 max resid (incl. the buffer)=  2.94605E-08
  prteigrs : nnsclo,ikpt=   30   74 max resid (incl. the buffer)=  3.18102E-06
  prteigrs : nnsclo,ikpt=   30   75 max resid (incl. the buffer)=  1.75757E-06
  prteigrs : nnsclo,ikpt=   30   76 max resid (incl. the buffer)=  1.63860E-08
  prteigrs : nnsclo,ikpt=   30   77 max resid (incl. the buffer)=  3.85409E-11
  prteigrs : nnsclo,ikpt=   30   78 max resid (incl. the buffer)=  7.89624E-06
  prteigrs : nnsclo,ikpt=   30   79 max resid (incl. the buffer)=  4.76686E-11
  prteigrs : nnsclo,ikpt=   30   80 max resid (incl. the buffer)=  5.66522E-12
  prteigrs : nnsclo,ikpt=   30   81 max resid (incl. the buffer)=  9.72250E-09
  prteigrs : nnsclo,ikpt=   30   82 max resid (incl. the buffer)=  2.19131E-11
  prteigrs : nnsclo,ikpt=   30   83 max resid (incl. the buffer)=  3.71681E-12
  prteigrs : nnsclo,ikpt=   30   84 max resid (incl. the buffer)=  1.21912E-10
  prteigrs : nnsclo,ikpt=   30   85 max resid (incl. the buffer)=  1.24118E-13
  prteigrs : nnsclo,ikpt=   30   86 max resid (incl. the buffer)=  1.07705E-10
  prteigrs : nnsclo,ikpt=   30   89 max resid (incl. the buffer)=  2.01115E-05
  prteigrs : nnsclo,ikpt=   30   90 max resid (incl. the buffer)=  2.21818E-09
  prteigrs : nnsclo,ikpt=   30   92 max resid (incl. the buffer)=  3.23496E-11
  prteigrs : nnsclo,ikpt=   30   93 max resid (incl. the buffer)=  2.23827E-10
  prteigrs : nnsclo,ikpt=   30   94 max resid (incl. the buffer)=  4.28489E-11
  prteigrs : nnsclo,ikpt=   30   96 max resid (incl. the buffer)=  1.76485E-12
  prteigrs : nnsclo,ikpt=   30   97 max resid (incl. the buffer)=  1.02721E-08
  prteigrs : nnsclo,ikpt=   30   98 max resid (incl. the buffer)=  2.72148E-13
  prteigrs : nnsclo,ikpt=   30   99 max resid (incl. the buffer)=  1.34610E-09
  prteigrs : nnsclo,ikpt=   30  103 max resid (incl. the buffer)=  1.62462E-05
  prteigrs : nnsclo,ikpt=   30  104 max resid (incl. the buffer)=  3.39996E-13
  prteigrs : nnsclo,ikpt=   30  105 max resid (incl. the buffer)=  1.24523E-06
  prteigrs : nnsclo,ikpt=   30  106 max resid (incl. the buffer)=  5.53130E-10
  prteigrs : nnsclo,ikpt=   30  107 max resid (incl. the buffer)=  3.89338E-13
  prteigrs : nnsclo,ikpt=   30  108 max resid (incl. the buffer)=  1.18682E-10
  prteigrs : nnsclo,ikpt=   30  109 max resid (incl. the buffer)=  7.30705E-13
  prteigrs : nnsclo,ikpt=   30  110 max resid (incl. the buffer)=  3.30585E-13
  prteigrs : nnsclo,ikpt=   30  111 max resid (incl. the buffer)=  4.02668E-13
  prteigrs : nnsclo,ikpt=   30  112 max resid (incl. the buffer)=  4.10260E-13
  prteigrs : nnsclo,ikpt=   30  113 max resid (incl. the buffer)=  1.01237E-08
  prteigrs : nnsclo,ikpt=   30  115 max resid (incl. the buffer)=  9.00860E-09
  prteigrs : nnsclo,ikpt=   30  116 max resid (incl. the buffer)=  1.15304E-13
  prteigrs : nnsclo,ikpt=   30  117 max resid (incl. the buffer)=  1.02773E-11
  prteigrs : nnsclo,ikpt=   30  118 max resid (incl. the buffer)=  5.40696E-07
  prteigrs : nnsclo,ikpt=   30  119 max resid (incl. the buffer)=  5.57687E-11
  prteigrs : nnsclo,ikpt=   30  120 max resid (incl. the buffer)=  1.23680E-04
  prteigrs : nnsclo,ikpt=   30  121 max resid (incl. the buffer)=  1.09478E-06
  prteigrs : nnsclo,ikpt=   30  122 max resid (incl. the buffer)=  5.41026E-08
  prteigrs : nnsclo,ikpt=   30  123 max resid (incl. the buffer)=  9.13707E-06
  prteigrs : nnsclo,ikpt=   30  124 max resid (incl. the buffer)=  1.60621E-11
  prteigrs : nnsclo,ikpt=   30  126 max resid (incl. the buffer)=  7.68516E-11
  prteigrs : nnsclo,ikpt=   30  127 max resid (incl. the buffer)=  2.40176E-07
  prteigrs : nnsclo,ikpt=   30  128 max resid (incl. the buffer)=  1.18427E-08
  prteigrs : nnsclo,ikpt=   30  130 max resid (incl. the buffer)=  4.21877E-13
  prteigrs : nnsclo,ikpt=   30  131 max resid (incl. the buffer)=  2.01015E-13
  prteigrs : nnsclo,ikpt=   30  132 max resid (incl. the buffer)=  1.49026E-11
  prteigrs : nnsclo,ikpt=   30  134 max resid (incl. the buffer)=  2.12843E-13
  prteigrs : nnsclo,ikpt=   30  136 max resid (incl. the buffer)=  1.98277E-11
  prteigrs : nnsclo,ikpt=   30  137 max resid (incl. the buffer)=  7.46984E-09
  prteigrs : nnsclo,ikpt=   30  138 max resid (incl. the buffer)=  4.58371E-11
  prteigrs : nnsclo,ikpt=   30  139 max resid (incl. the buffer)=  6.01472E-10
  prteigrs : nnsclo,ikpt=   30  141 max resid (incl. the buffer)=  6.76261E-08
  prteigrs : nnsclo,ikpt=   30  142 max resid (incl. the buffer)=  2.35234E-10
  prteigrs : nnsclo,ikpt=   30  143 max resid (incl. the buffer)=  1.87927E-13
  prteigrs : nnsclo,ikpt=   30  145 max resid (incl. the buffer)=  5.46262E-11
  prteigrs : nnsclo,ikpt=   30  146 max resid (incl. the buffer)=  3.53336E-08
  prteigrs : nnsclo,ikpt=   30  147 max resid (incl. the buffer)=  6.00320E-09
  prteigrs : nnsclo,ikpt=   30  148 max resid (incl. the buffer)=  4.26113E-08
  prteigrs : nnsclo,ikpt=   30  149 max resid (incl. the buffer)=  2.32745E-09
  prteigrs : nnsclo,ikpt=   30  150 max resid (incl. the buffer)=  2.58420E-10
  prteigrs : nnsclo,ikpt=   30  151 max resid (incl. the buffer)=  3.71804E-09
  prteigrs : nnsclo,ikpt=   30  153 max resid (incl. the buffer)=  1.68912E-12
  prteigrs : nnsclo,ikpt=   30  154 max resid (incl. the buffer)=  2.62585E-09
  prteigrs : nnsclo,ikpt=   30  155 max resid (incl. the buffer)=  4.70242E-08
  prteigrs : nnsclo,ikpt=   30  157 max resid (incl. the buffer)=  1.21925E-08
  prteigrs : nnsclo,ikpt=   30  158 max resid (incl. the buffer)=  1.55640E-10
  prteigrs : nnsclo,ikpt=   30  159 max resid (incl. the buffer)=  2.45845E-09
  prteigrs : nnsclo,ikpt=   30  160 max resid (incl. the buffer)=  1.59981E-10
  prteigrs : nnsclo,ikpt=   30  162 max resid (incl. the buffer)=  7.45724E-11
  prteigrs : nnsclo,ikpt=   30  163 max resid (incl. the buffer)=  5.55804E-07
  prteigrs : nnsclo,ikpt=   30  164 max resid (incl. the buffer)=  2.18815E-08
  prteigrs : nnsclo,ikpt=   30  165 max resid (incl. the buffer)=  1.45972E-09
  prteigrs : nnsclo,ikpt=   30  166 max resid (incl. the buffer)=  1.45107E-09
  prteigrs : nnsclo,ikpt=   30  167 max resid (incl. the buffer)=  1.85725E-13
  prteigrs : nnsclo,ikpt=   30  168 max resid (incl. the buffer)=  3.82220E-06
  prteigrs : nnsclo,ikpt=   30  169 max resid (incl. the buffer)=  1.43196E-11
  prteigrs : nnsclo,ikpt=   30  170 max resid (incl. the buffer)=  2.91302E-09
  prteigrs : nnsclo,ikpt=   30  171 max resid (incl. the buffer)=  4.40734E-09
  prteigrs : nnsclo,ikpt=   30  172 max resid (incl. the buffer)=  2.94734E-09
  prteigrs : nnsclo,ikpt=   30  173 max resid (incl. the buffer)=  3.76462E-08
  prteigrs : nnsclo,ikpt=   30  174 max resid (incl. the buffer)=  3.98830E-10
  prteigrs : nnsclo,ikpt=   30  175 max resid (incl. the buffer)=  1.51603E-07
  prteigrs : nnsclo,ikpt=   30  176 max resid (incl. the buffer)=  1.19761E-10
  prteigrs : nnsclo,ikpt=   30  177 max resid (incl. the buffer)=  3.39770E-07
  prteigrs : nnsclo,ikpt=   30  178 max resid (incl. the buffer)=  4.21145E-13
  prteigrs : nnsclo,ikpt=   30  180 max resid (incl. the buffer)=  9.85735E-12
  prteigrs : nnsclo,ikpt=   30  181 max resid (incl. the buffer)=  5.41190E-12
  prteigrs : nnsclo,ikpt=   30  182 max resid (incl. the buffer)=  3.66616E-11
  prteigrs : nnsclo,ikpt=   30  184 max resid (incl. the buffer)=  2.87564E-12
  prteigrs : nnsclo,ikpt=   30  185 max resid (incl. the buffer)=  1.18858E-08
  prteigrs : nnsclo,ikpt=   30  186 max resid (incl. the buffer)=  1.06478E-09
  prteigrs : nnsclo,ikpt=   30  187 max resid (incl. the buffer)=  4.05909E-10
  prteigrs : nnsclo,ikpt=   30  189 max resid (incl. the buffer)=  5.04147E-12
  prteigrs : nnsclo,ikpt=   30  190 max resid (incl. the buffer)=  6.28689E-12
  prteigrs : nnsclo,ikpt=   30  191 max resid (incl. the buffer)=  9.44003E-10
  prteigrs : nnsclo,ikpt=   30  192 max resid (incl. the buffer)=  3.03610E-06
  prteigrs : nnsclo,ikpt=   30  193 max resid (incl. the buffer)=  3.81827E-11
  prteigrs : nnsclo,ikpt=   30  194 max resid (incl. the buffer)=  1.93946E-13
  prteigrs : nnsclo,ikpt=   30  195 max resid (incl. the buffer)=  8.16844E-09
  prteigrs : nnsclo,ikpt=   30  196 max resid (incl. the buffer)=  4.44228E-09
  prteigrs : nnsclo,ikpt=   30  197 max resid (incl. the buffer)=  2.52110E-11
  prteigrs : nnsclo,ikpt=   30  198 max resid (incl. the buffer)=  1.61398E-12
  prteigrs : nnsclo,ikpt=   30  199 max resid (incl. the buffer)=  4.14541E-12
  prteigrs : nnsclo,ikpt=   30  200 max resid (incl. the buffer)=  3.14155E-07
  prteigrs : nnsclo,ikpt=   30  201 max resid (incl. the buffer)=  1.16413E-05
  prteigrs : nnsclo,ikpt=   30  202 max resid (incl. the buffer)=  3.39997E-08
  prteigrs : nnsclo,ikpt=   30  203 max resid (incl. the buffer)=  9.41033E-06
  prteigrs : nnsclo,ikpt=   30  204 max resid (incl. the buffer)=  1.91431E-11
  prteigrs : nnsclo,ikpt=   30  206 max resid (incl. the buffer)=  1.69065E-07
  prteigrs : nnsclo,ikpt=   30  207 max resid (incl. the buffer)=  1.44470E-10
  prteigrs : nnsclo,ikpt=   30  208 max resid (incl. the buffer)=  7.44817E-07
  prteigrs : nnsclo,ikpt=   30  209 max resid (incl. the buffer)=  1.86346E-11
  prteigrs : nnsclo,ikpt=   30  210 max resid (incl. the buffer)=  3.88900E-11
  prteigrs : nnsclo,ikpt=   30  211 max resid (incl. the buffer)=  3.28634E-07
  prteigrs : nnsclo,ikpt=   30  212 max resid (incl. the buffer)=  3.96646E-06
  prteigrs : nnsclo,ikpt=   30  213 max resid (incl. the buffer)=  1.08990E-06
  prteigrs : nnsclo,ikpt=   30  214 max resid (incl. the buffer)=  1.72322E-12
  prteigrs : nnsclo,ikpt=   30  216 max resid (incl. the buffer)=  3.03889E-09
  prteigrs : nnsclo,ikpt=   30  217 max resid (incl. the buffer)=  3.02855E-07
  prteigrs : nnsclo,ikpt=   30  218 max resid (incl. the buffer)=  6.09802E-07
  prteigrs : nnsclo,ikpt=   30  220 max resid (incl. the buffer)=  5.96659E-13
  prteigrs : nnsclo,ikpt=   30  221 max resid (incl. the buffer)=  9.03222E-05
  prteigrs : nnsclo,ikpt=   30  222 max resid (incl. the buffer)=  8.38953E-05
  prteigrs : nnsclo,ikpt=   30  223 max resid (incl. the buffer)=  4.18817E-05
  prteigrs : nnsclo,ikpt=   30  224 max resid (incl. the buffer)=  2.45064E-11
  prteigrs : nnsclo,ikpt=   30  225 max resid (incl. the buffer)=  2.00658E-10
  prteigrs : nnsclo,ikpt=   30  226 max resid (incl. the buffer)=  7.61670E-08
  prteigrs : nnsclo,ikpt=   30  227 max resid (incl. the buffer)=  8.68257E-13
  prteigrs : nnsclo,ikpt=   30  228 max resid (incl. the buffer)=  8.50004E-06
  prteigrs : nnsclo,ikpt=   30  229 max resid (incl. the buffer)=  1.45923E-11
  prteigrs : nnsclo,ikpt=   30  230 max resid (incl. the buffer)=  9.43135E-09
  prteigrs : nnsclo,ikpt=   30  231 max resid (incl. the buffer)=  2.56681E-09
  prteigrs : nnsclo,ikpt=   30  232 max resid (incl. the buffer)=  5.85549E-13
  prteigrs : nnsclo,ikpt=   30  233 max resid (incl. the buffer)=  1.97895E-11
  prteigrs : nnsclo,ikpt=   30  234 max resid (incl. the buffer)=  2.21224E-06
  prteigrs : nnsclo,ikpt=   30  235 max resid (incl. the buffer)=  6.52454E-13
  prteigrs : nnsclo,ikpt=   30  236 max resid (incl. the buffer)=  1.60683E-07
  prteigrs : nnsclo,ikpt=   30  237 max resid (incl. the buffer)=  1.49059E-08
  prteigrs : nnsclo,ikpt=   30  238 max resid (incl. the buffer)=  9.03045E-08
  prteigrs : nnsclo,ikpt=   30  239 max resid (incl. the buffer)=  1.25335E-07
  prteigrs : nnsclo,ikpt=   30  240 max resid (incl. the buffer)=  2.26635E-13
  prteigrs : nnsclo,ikpt=   30  241 max resid (incl. the buffer)=  6.70011E-12
  prteigrs : nnsclo,ikpt=   30  242 max resid (incl. the buffer)=  1.75172E-11
  prteigrs : nnsclo,ikpt=   30  243 max resid (incl. the buffer)=  1.83037E-08
  prteigrs : nnsclo,ikpt=   30  244 max resid (incl. the buffer)=  1.01979E-09
  prteigrs : nnsclo,ikpt=   30  245 max resid (incl. the buffer)=  9.96726E-10
  prteigrs : nnsclo,ikpt=   30  246 max resid (incl. the buffer)=  1.03234E-04
  prteigrs : nnsclo,ikpt=   30  248 max resid (incl. the buffer)=  1.46881E-07
  prteigrs : nnsclo,ikpt=   30  249 max resid (incl. the buffer)=  4.46572E-13
  prteigrs : nnsclo,ikpt=   30  250 max resid (incl. the buffer)=  2.01730E-08
  prteigrs : nnsclo,ikpt=   30  251 max resid (incl. the buffer)=  1.13294E-06
  prteigrs : nnsclo,ikpt=   30  252 max resid (incl. the buffer)=  4.68577E-10
  prteigrs : nnsclo,ikpt=   30  253 max resid (incl. the buffer)=  1.90443E-08
  prteigrs : nnsclo,ikpt=   30  254 max resid (incl. the buffer)=  3.64264E-08
  prteigrs : nnsclo,ikpt=   30  255 max resid (incl. the buffer)=  2.32452E-06
  prteigrs : nnsclo,ikpt=   30  256 max resid (incl. the buffer)=  3.76560E-10
  prteigrs : nnsclo,ikpt=   30  257 max resid (incl. the buffer)=  1.84800E-07
  prteigrs : nnsclo,ikpt=   30  258 max resid (incl. the buffer)=  3.41967E-05
  prteigrs : nnsclo,ikpt=   30  259 max resid (incl. the buffer)=  3.30053E-06
  prteigrs : nnsclo,ikpt=   30  260 max resid (incl. the buffer)=  1.96338E-06
  prteigrs : nnsclo,ikpt=   30  262 max resid (incl. the buffer)=  7.46777E-07
  prteigrs : nnsclo,ikpt=   30  263 max resid (incl. the buffer)=  1.63201E-10
  prteigrs : nnsclo,ikpt=   30  264 max resid (incl. the buffer)=  9.26649E-08
  prteigrs : nnsclo,ikpt=   30  266 max resid (incl. the buffer)=  5.81845E-08
  prteigrs : nnsclo,ikpt=   30  267 max resid (incl. the buffer)=  3.28895E-09
  prteigrs : nnsclo,ikpt=   30  268 max resid (incl. the buffer)=  7.45918E-09
  prteigrs : nnsclo,ikpt=   30  269 max resid (incl. the buffer)=  9.03206E-13
  prteigrs : nnsclo,ikpt=   30  270 max resid (incl. the buffer)=  1.71206E-06
  prteigrs : nnsclo,ikpt=   30  271 max resid (incl. the buffer)=  1.44233E-07
  prteigrs : nnsclo,ikpt=   30  272 max resid (incl. the buffer)=  2.43933E-06
  prteigrs : nnsclo,ikpt=   30  273 max resid (incl. the buffer)=  6.64687E-06
  prteigrs : nnsclo,ikpt=   30  274 max resid (incl. the buffer)=  2.30498E-08
  prteigrs : nnsclo,ikpt=   30  275 max resid (incl. the buffer)=  3.69154E-08
  prteigrs : nnsclo,ikpt=   30  276 max resid (incl. the buffer)=  1.74590E-06
  prteigrs : nnsclo,ikpt=   30  277 max resid (incl. the buffer)=  1.16612E-08
  prteigrs : nnsclo,ikpt=   30  278 max resid (incl. the buffer)=  4.43589E-09
  prteigrs : nnsclo,ikpt=   30  279 max resid (incl. the buffer)=  1.74310E-08
  prteigrs : nnsclo,ikpt=   30  280 max resid (incl. the buffer)=  1.05920E-08
  prteigrs : nnsclo,ikpt=   30  281 max resid (incl. the buffer)=  1.66373E-10
  prteigrs : nnsclo,ikpt=   30  283 max resid (incl. the buffer)=  3.46405E-13
  prteigrs : nnsclo,ikpt=   30  284 max resid (incl. the buffer)=  1.80924E-06
  prteigrs : nnsclo,ikpt=   30  285 max resid (incl. the buffer)=  1.24766E-11
  prteigrs : nnsclo,ikpt=   30  286 max resid (incl. the buffer)=  2.51800E-08
  prteigrs : nnsclo,ikpt=   30  287 max resid (incl. the buffer)=  7.27616E-13
  prteigrs : nnsclo,ikpt=   30  288 max resid (incl. the buffer)=  2.29108E-06
  prteigrs : nnsclo,ikpt=   30  289 max resid (incl. the buffer)=  4.26845E-11
  prteigrs : nnsclo,ikpt=   30  290 max resid (incl. the buffer)=  6.56999E-12
  prteigrs : nnsclo,ikpt=   30  291 max resid (incl. the buffer)=  1.71329E-10
  prteigrs : nnsclo,ikpt=   30  293 max resid (incl. the buffer)=  2.97313E-10
  prteigrs : nnsclo,ikpt=   30  294 max resid (incl. the buffer)=  1.96486E-12
  prteigrs : nnsclo,ikpt=   30  295 max resid (incl. the buffer)=  1.76116E-09
  prteigrs : nnsclo,ikpt=   30  296 max resid (incl. the buffer)=  3.78307E-07
  prteigrs : nnsclo,ikpt=   30  297 max resid (incl. the buffer)=  4.46815E-09
  prteigrs : nnsclo,ikpt=   30  298 max resid (incl. the buffer)=  1.28754E-08
  prteigrs : nnsclo,ikpt=   30  299 max resid (incl. the buffer)=  1.85933E-12
  prteigrs : nnsclo,ikpt=   30  300 max resid (incl. the buffer)=  3.17174E-07
  prteigrs : nnsclo,ikpt=   30  301 max resid (incl. the buffer)=  2.89534E-07
  prteigrs : nnsclo,ikpt=   30  302 max resid (incl. the buffer)=  3.54871E-10
  prteigrs : nnsclo,ikpt=   30  303 max resid (incl. the buffer)=  1.02198E-12
  prteigrs : nnsclo,ikpt=   30  304 max resid (incl. the buffer)=  3.07158E-08
  prteigrs : nnsclo,ikpt=   30  305 max resid (incl. the buffer)=  1.68443E-10
  prteigrs : nnsclo,ikpt=   30  306 max resid (incl. the buffer)=  9.20200E-12
  prteigrs : nnsclo,ikpt=   30  307 max resid (incl. the buffer)=  2.03929E-10
  prteigrs : nnsclo,ikpt=   30  308 max resid (incl. the buffer)=  3.35538E-08
  prteigrs : nnsclo,ikpt=   30  309 max resid (incl. the buffer)=  1.87853E-12
  prteigrs : nnsclo,ikpt=   30  310 max resid (incl. the buffer)=  6.25002E-12
  prteigrs : nnsclo,ikpt=   30  311 max resid (incl. the buffer)=  3.69644E-10
  prteigrs : nnsclo,ikpt=   30  312 max resid (incl. the buffer)=  2.57462E-13
  prteigrs : nnsclo,ikpt=   30  314 max resid (incl. the buffer)=  9.70249E-12
  prteigrs : nnsclo,ikpt=   30  315 max resid (incl. the buffer)=  5.87642E-13
  prteigrs : nnsclo,ikpt=   30  316 max resid (incl. the buffer)=  9.75335E-09
  prteigrs : nnsclo,ikpt=   30  317 max resid (incl. the buffer)=  2.21346E-08
  prteigrs : nnsclo,ikpt=   30  318 max resid (incl. the buffer)=  5.57683E-12
  prteigrs : nnsclo,ikpt=   30  319 max resid (incl. the buffer)=  6.63712E-10
  prteigrs : nnsclo,ikpt=   30  321 max resid (incl. the buffer)=  5.10780E-12
  prteigrs : nnsclo,ikpt=   30  322 max resid (incl. the buffer)=  2.52787E-12
  prteigrs : nnsclo,ikpt=   30  323 max resid (incl. the buffer)=  1.27705E-12
  prteigrs : nnsclo,ikpt=   30  324 max resid (incl. the buffer)=  1.09590E-09
  prteigrs : nnsclo,ikpt=   30  325 max resid (incl. the buffer)=  2.04472E-13
  prteigrs : nnsclo,ikpt=   30  326 max resid (incl. the buffer)=  2.69007E-07
  prteigrs : nnsclo,ikpt=   30  327 max resid (incl. the buffer)=  3.76043E-09
  prteigrs : nnsclo,ikpt=   30  328 max resid (incl. the buffer)=  3.81839E-08
  prteigrs : nnsclo,ikpt=   30  329 max resid (incl. the buffer)=  4.69924E-08
  prteigrs : nnsclo,ikpt=   30  330 max resid (incl. the buffer)=  2.62845E-13
  prteigrs : nnsclo,ikpt=   30  331 max resid (incl. the buffer)=  7.34169E-07
  prteigrs : nnsclo,ikpt=   30  332 max resid (incl. the buffer)=  5.13438E-13
  prteigrs : nnsclo,ikpt=   30  333 max resid (incl. the buffer)=  8.55739E-08
  prteigrs : nnsclo,ikpt=   30  334 max resid (incl. the buffer)=  3.30229E-11
  prteigrs : nnsclo,ikpt=   30  335 max resid (incl. the buffer)=  3.76971E-11
  prteigrs : nnsclo,ikpt=   30  337 max resid (incl. the buffer)=  2.88803E-08
  prteigrs : nnsclo,ikpt=   30  338 max resid (incl. the buffer)=  4.17863E-10
  prteigrs : nnsclo,ikpt=   30  340 max resid (incl. the buffer)=  3.83236E-12
  prteigrs : nnsclo,ikpt=   30  341 max resid (incl. the buffer)=  1.56831E-10
  prteigrs : nnsclo,ikpt=   30  342 max resid (incl. the buffer)=  8.06444E-13
  prteigrs : nnsclo,ikpt=   30  343 max resid (incl. the buffer)=  1.68638E-13
  prteigrs : nnsclo,ikpt=   30  344 max resid (incl. the buffer)=  3.62589E-11
  prteigrs : nnsclo,ikpt=   30  345 max resid (incl. the buffer)=  4.00540E-13
  prteigrs : nnsclo,ikpt=   30  346 max resid (incl. the buffer)=  2.37987E-12
  prteigrs : nnsclo,ikpt=   30  347 max resid (incl. the buffer)=  2.05549E-11
  prteigrs : nnsclo,ikpt=   30  348 max resid (incl. the buffer)=  3.09426E-09
  prteigrs : nnsclo,ikpt=   30  349 max resid (incl. the buffer)=  8.23666E-12
  prteigrs : nnsclo,ikpt=   30  351 max resid (incl. the buffer)=  6.63522E-13
  prteigrs : nnsclo,ikpt=   30  352 max resid (incl. the buffer)=  2.19222E-11
  prteigrs : nnsclo,ikpt=   30  353 max resid (incl. the buffer)=  5.19142E-08
  prteigrs : nnsclo,ikpt=   30  354 max resid (incl. the buffer)=  2.02701E-13
  prteigrs : nnsclo,ikpt=   30  355 max resid (incl. the buffer)=  2.98001E-13
  prteigrs : nnsclo,ikpt=   30  356 max resid (incl. the buffer)=  7.12584E-08
  prteigrs : nnsclo,ikpt=   30  357 max resid (incl. the buffer)=  4.66285E-09
  prteigrs : nnsclo,ikpt=   30  358 max resid (incl. the buffer)=  3.91572E-12
  prteigrs : nnsclo,ikpt=   30  359 max resid (incl. the buffer)=  2.00641E-09
  prteigrs : nnsclo,ikpt=   30  360 max resid (incl. the buffer)=  9.05704E-12
  prteigrs : nnsclo,ikpt=   30  361 max resid (incl. the buffer)=  1.12537E-10
  prteigrs : nnsclo,ikpt=   30  362 max resid (incl. the buffer)=  2.13973E-07
  prteigrs : nnsclo,ikpt=   30  363 max resid (incl. the buffer)=  2.23182E-09
  prteigrs : nnsclo,ikpt=   30  364 max resid (incl. the buffer)=  1.96264E-07
  prteigrs : nnsclo,ikpt=   30  365 max resid (incl. the buffer)=  3.70304E-10
  prteigrs : nnsclo,ikpt=   30  366 max resid (incl. the buffer)=  2.76538E-09
  prteigrs : nnsclo,ikpt=   30  367 max resid (incl. the buffer)=  4.43413E-07
  prteigrs : nnsclo,ikpt=   30  368 max resid (incl. the buffer)=  4.26159E-09
  prteigrs : nnsclo,ikpt=   30  369 max resid (incl. the buffer)=  4.14361E-09
  prteigrs : nnsclo,ikpt=   30  370 max resid (incl. the buffer)=  6.25189E-11
  prteigrs : nnsclo,ikpt=   30  371 max resid (incl. the buffer)=  4.70724E-09
  prteigrs : nnsclo,ikpt=   30  372 max resid (incl. the buffer)=  1.44736E-11
  prteigrs : nnsclo,ikpt=   30  373 max resid (incl. the buffer)=  2.01312E-09
  prteigrs : nnsclo,ikpt=   30  374 max resid (incl. the buffer)=  4.12658E-09
  prteigrs : nnsclo,ikpt=   30  375 max resid (incl. the buffer)=  2.68842E-09
  prteigrs : nnsclo,ikpt=   30  376 max resid (incl. the buffer)=  3.35844E-12
  prteigrs : nnsclo,ikpt=   30  377 max resid (incl. the buffer)=  2.45433E-09
  prteigrs : nnsclo,ikpt=   30  378 max resid (incl. the buffer)=  1.64710E-10
  prteigrs : nnsclo,ikpt=   30  379 max resid (incl. the buffer)=  9.12366E-06
  prteigrs : nnsclo,ikpt=   30  380 max resid (incl. the buffer)=  3.28837E-12
  prteigrs : nnsclo,ikpt=   30  381 max resid (incl. the buffer)=  6.08051E-12
  prteigrs : nnsclo,ikpt=   30  382 max resid (incl. the buffer)=  2.71601E-11
  prteigrs : nnsclo,ikpt=   30  383 max resid (incl. the buffer)=  3.15847E-08
  prteigrs : nnsclo,ikpt=   30  385 max resid (incl. the buffer)=  6.78492E-12
  prteigrs : nnsclo,ikpt=   30  386 max resid (incl. the buffer)=  1.74651E-09
  prteigrs : nnsclo,ikpt=   30  387 max resid (incl. the buffer)=  2.94383E-09
  prteigrs : nnsclo,ikpt=   30  388 max resid (incl. the buffer)=  2.82858E-07
  prteigrs : nnsclo,ikpt=   30  389 max resid (incl. the buffer)=  2.45757E-10
  prteigrs : nnsclo,ikpt=   30  391 max resid (incl. the buffer)=  2.59674E-08
  prteigrs : nnsclo,ikpt=   30  392 max resid (incl. the buffer)=  5.60085E-13
  prteigrs : nnsclo,ikpt=   30  394 max resid (incl. the buffer)=  5.35447E-11
  prteigrs : nnsclo,ikpt=   30  396 max resid (incl. the buffer)=  2.36729E-11
  prteigrs : nnsclo,ikpt=   30  397 max resid (incl. the buffer)=  1.94484E-10
  prteigrs : nnsclo,ikpt=   30  398 max resid (incl. the buffer)=  1.06398E-12
  prteigrs : nnsclo,ikpt=   30  399 max resid (incl. the buffer)=  1.14541E-11
  prteigrs : nnsclo,ikpt=   30  400 max resid (incl. the buffer)=  1.81046E-13
  prteigrs : nnsclo,ikpt=   30  402 max resid (incl. the buffer)=  1.73089E-12
  prteigrs : nnsclo,ikpt=   30  403 max resid (incl. the buffer)=  1.61633E-13
  prteigrs : nnsclo,ikpt=   30  404 max resid (incl. the buffer)=  1.13940E-10
  prteigrs : nnsclo,ikpt=   30  405 max resid (incl. the buffer)=  1.73552E-12
  prteigrs : nnsclo,ikpt=   30  406 max resid (incl. the buffer)=  2.34677E-11
  prteigrs : nnsclo,ikpt=   30  407 max resid (incl. the buffer)=  1.56090E-11
  prteigrs : nnsclo,ikpt=   30  408 max resid (incl. the buffer)=  3.90200E-08
  prteigrs : nnsclo,ikpt=   30  409 max resid (incl. the buffer)=  4.28902E-11
  prteigrs : nnsclo,ikpt=   30  410 max resid (incl. the buffer)=  6.63891E-11
  prteigrs : nnsclo,ikpt=   30  411 max resid (incl. the buffer)=  5.91776E-11
  prteigrs : nnsclo,ikpt=   30  412 max resid (incl. the buffer)=  8.71952E-11
  prteigrs : nnsclo,ikpt=   30  413 max resid (incl. the buffer)=  1.22469E-13
  prteigrs : nnsclo,ikpt=   30  415 max resid (incl. the buffer)=  8.16931E-12
  prteigrs : nnsclo,ikpt=   30  416 max resid (incl. the buffer)=  4.02077E-09
  prteigrs : nnsclo,ikpt=   30  417 max resid (incl. the buffer)=  2.78288E-08
  prteigrs : nnsclo,ikpt=   30  418 max resid (incl. the buffer)=  2.56372E-09
  prteigrs : nnsclo,ikpt=   30  419 max resid (incl. the buffer)=  8.10081E-11
  prteigrs : nnsclo,ikpt=   30  420 max resid (incl. the buffer)=  1.58060E-11
  prteigrs : nnsclo,ikpt=   30  421 max resid (incl. the buffer)=  6.96174E-12
  prteigrs : nnsclo,ikpt=   30  423 max resid (incl. the buffer)=  9.92644E-09
  prteigrs : nnsclo,ikpt=   30  424 max resid (incl. the buffer)=  1.57502E-12
  prteigrs : nnsclo,ikpt=   30  425 max resid (incl. the buffer)=  3.95964E-11
  prteigrs : nnsclo,ikpt=   30  426 max resid (incl. the buffer)=  1.37597E-05
  prteigrs : nnsclo,ikpt=   30  427 max resid (incl. the buffer)=  1.08134E-12
  prteigrs : nnsclo,ikpt=   30  428 max resid (incl. the buffer)=  3.51010E-07
  prteigrs : nnsclo,ikpt=   30  429 max resid (incl. the buffer)=  8.74752E-12
  prteigrs : nnsclo,ikpt=   30  430 max resid (incl. the buffer)=  2.29336E-06
  prteigrs : nnsclo,ikpt=   30  431 max resid (incl. the buffer)=  2.64495E-11
  prteigrs : nnsclo,ikpt=   30  434 max resid (incl. the buffer)=  3.14239E-12
  prteigrs : nnsclo,ikpt=   30  435 max resid (incl. the buffer)=  1.17644E-13
  prteigrs : nnsclo,ikpt=   30  436 max resid (incl. the buffer)=  2.43437E-13
  prteigrs : nnsclo,ikpt=   30  437 max resid (incl. the buffer)=  1.31120E-09
  prteigrs : nnsclo,ikpt=   30  438 max resid (incl. the buffer)=  4.56133E-10
  prteigrs : nnsclo,ikpt=   30  439 max resid (incl. the buffer)=  5.61393E-12
  prteigrs : nnsclo,ikpt=   30  440 max resid (incl. the buffer)=  3.77037E-11
  prteigrs : nnsclo,ikpt=   30  441 max resid (incl. the buffer)=  7.12513E-10
  prteigrs : nnsclo,ikpt=   30  442 max resid (incl. the buffer)=  6.02794E-12
  prteigrs : nnsclo,ikpt=   30  443 max resid (incl. the buffer)=  2.26387E-11
  prteigrs : nnsclo,ikpt=   30  444 max resid (incl. the buffer)=  7.11258E-12
  prteigrs : nnsclo,ikpt=   30  445 max resid (incl. the buffer)=  3.96209E-12
  prteigrs : nnsclo,ikpt=   30  446 max resid (incl. the buffer)=  6.50731E-13
  prteigrs : nnsclo,ikpt=   30  447 max resid (incl. the buffer)=  1.72800E-08
  prteigrs : nnsclo,ikpt=   30  448 max resid (incl. the buffer)=  1.21537E-05
  prteigrs : nnsclo,ikpt=   30  450 max resid (incl. the buffer)=  1.08958E-09
  prteigrs : nnsclo,ikpt=   30  451 max resid (incl. the buffer)=  3.22272E-11
  prteigrs : nnsclo,ikpt=   30  452 max resid (incl. the buffer)=  1.92633E-10
  prteigrs : nnsclo,ikpt=   30  453 max resid (incl. the buffer)=  5.35995E-06
  prteigrs : nnsclo,ikpt=   30  454 max resid (incl. the buffer)=  3.15466E-13
  prteigrs : nnsclo,ikpt=   30  455 max resid (incl. the buffer)=  7.38440E-12
  prteigrs : nnsclo,ikpt=   30  456 max resid (incl. the buffer)=  8.75359E-08
  prteigrs : nnsclo,ikpt=   30  457 max resid (incl. the buffer)=  2.94579E-13
  prteigrs : nnsclo,ikpt=   30  458 max resid (incl. the buffer)=  4.02555E-10
  prteigrs : nnsclo,ikpt=   30  459 max resid (incl. the buffer)=  3.52254E-09
  prteigrs : nnsclo,ikpt=   30  460 max resid (incl. the buffer)=  1.65060E-10
  prteigrs : nnsclo,ikpt=   30  461 max resid (incl. the buffer)=  5.80421E-11
  prteigrs : nnsclo,ikpt=   30  462 max resid (incl. the buffer)=  1.13585E-08
  prteigrs : nnsclo,ikpt=   30  464 max resid (incl. the buffer)=  9.08226E-10
  prteigrs : nnsclo,ikpt=   30  465 max resid (incl. the buffer)=  6.31333E-09
  prteigrs : nnsclo,ikpt=   30  466 max resid (incl. the buffer)=  2.25399E-12
  prteigrs : nnsclo,ikpt=   30  468 max resid (incl. the buffer)=  3.84365E-05
  prteigrs : nnsclo,ikpt=   30  469 max resid (incl. the buffer)=  1.62441E-11
  prteigrs : nnsclo,ikpt=   30  470 max resid (incl. the buffer)=  2.92540E-10
  prteigrs : nnsclo,ikpt=   30  471 max resid (incl. the buffer)=  7.55899E-08
  prteigrs : nnsclo,ikpt=   30  472 max resid (incl. the buffer)=  2.53617E-09
  prteigrs : nnsclo,ikpt=   30  473 max resid (incl. the buffer)=  1.23331E-06
  prteigrs : nnsclo,ikpt=   30  474 max resid (incl. the buffer)=  2.10297E-09
  prteigrs : nnsclo,ikpt=   30  475 max resid (incl. the buffer)=  2.68292E-06
  prteigrs : nnsclo,ikpt=   30  476 max resid (incl. the buffer)=  1.41029E-08
  prteigrs : nnsclo,ikpt=   30  477 max resid (incl. the buffer)=  1.14913E-05
  prteigrs : nnsclo,ikpt=   30  478 max resid (incl. the buffer)=  3.95673E-08
  prteigrs : nnsclo,ikpt=   30  479 max resid (incl. the buffer)=  2.21168E-09
  prteigrs : nnsclo,ikpt=   30  480 max resid (incl. the buffer)=  2.72673E-09
  prteigrs : nnsclo,ikpt=   30  481 max resid (incl. the buffer)=  5.47562E-10
  prteigrs : nnsclo,ikpt=   30  482 max resid (incl. the buffer)=  1.62065E-10
  prteigrs : nnsclo,ikpt=   30  483 max resid (incl. the buffer)=  6.15721E-12
  prteigrs : nnsclo,ikpt=   30  484 max resid (incl. the buffer)=  1.72780E-11
  prteigrs : nnsclo,ikpt=   30  485 max resid (incl. the buffer)=  3.78801E-13
  prteigrs : nnsclo,ikpt=   30  486 max resid (incl. the buffer)=  2.15819E-10
  prteigrs : nnsclo,ikpt=   30  487 max resid (incl. the buffer)=  4.12607E-11
  prteigrs : nnsclo,ikpt=   30  488 max resid (incl. the buffer)=  6.95679E-08
  prteigrs : nnsclo,ikpt=   30  489 max resid (incl. the buffer)=  4.91208E-12
  prteigrs : nnsclo,ikpt=   30  490 max resid (incl. the buffer)=  3.06066E-10
  prteigrs : nnsclo,ikpt=   30  491 max resid (incl. the buffer)=  3.64159E-12
  prteigrs : nnsclo,ikpt=   30  492 max resid (incl. the buffer)=  5.10342E-12
  prteigrs : nnsclo,ikpt=   30  493 max resid (incl. the buffer)=  3.03884E-07
  prteigrs : nnsclo,ikpt=   30  494 max resid (incl. the buffer)=  3.93922E-12
  prteigrs : nnsclo,ikpt=   30  495 max resid (incl. the buffer)=  1.95043E-09
  prteigrs : nnsclo,ikpt=   30  496 max resid (incl. the buffer)=  1.12953E-09
  prteigrs : nnsclo,ikpt=   30  497 max resid (incl. the buffer)=  1.10261E-11
  prteigrs : nnsclo,ikpt=   30  498 max resid (incl. the buffer)=  8.62445E-10
  prteigrs : nnsclo,ikpt=   30  499 max resid (incl. the buffer)=  3.26141E-08
  prteigrs : nnsclo,ikpt=   30  500 max resid (incl. the buffer)=  3.36887E-07
  prteigrs : nnsclo,ikpt=   30  501 max resid (incl. the buffer)=  1.55445E-12
  prteigrs : nnsclo,ikpt=   30  502 max resid (incl. the buffer)=  2.54083E-07
  prteigrs : nnsclo,ikpt=   30  503 max resid (incl. the buffer)=  5.25126E-09
  prteigrs : nnsclo,ikpt=   30  504 max resid (incl. the buffer)=  6.09801E-11
  prteigrs : nnsclo,ikpt=   30  505 max resid (incl. the buffer)=  7.89533E-13
  prteigrs : nnsclo,ikpt=   30  506 max resid (incl. the buffer)=  2.53450E-09
  prteigrs : nnsclo,ikpt=   30  507 max resid (incl. the buffer)=  3.76367E-13
  prteigrs : nnsclo,ikpt=   30  508 max resid (incl. the buffer)=  6.54256E-10
  prteigrs : nnsclo,ikpt=   30  509 max resid (incl. the buffer)=  5.44355E-07
  prteigrs : nnsclo,ikpt=   30  510 max resid (incl. the buffer)=  9.63935E-11
  prteigrs : nnsclo,ikpt=   30  511 max resid (incl. the buffer)=  5.63380E-07
  prteigrs : nnsclo,ikpt=   30  512 max resid (incl. the buffer)=  1.34569E-13
  prteigrs : nnsclo,ikpt=   30  513 max resid (incl. the buffer)=  1.07702E-12
  prteigrs : nnsclo,ikpt=   30  514 max resid (incl. the buffer)=  1.75372E-08
  prteigrs : nnsclo,ikpt=   30  515 max resid (incl. the buffer)=  8.86608E-10
  prteigrs : nnsclo,ikpt=   30  517 max resid (incl. the buffer)=  4.53321E-11
  prteigrs : nnsclo,ikpt=   30  518 max resid (incl. the buffer)=  5.18387E-10
  prteigrs : nnsclo,ikpt=   30  519 max resid (incl. the buffer)=  3.22881E-09
  prteigrs : nnsclo,ikpt=   30  520 max resid (incl. the buffer)=  7.99409E-11
  prteigrs : nnsclo,ikpt=   30  521 max resid (incl. the buffer)=  1.62544E-08
  prteigrs : nnsclo,ikpt=   30  522 max resid (incl. the buffer)=  2.32090E-12
  prteigrs : nnsclo,ikpt=   30  523 max resid (incl. the buffer)=  1.51509E-11
  prteigrs : nnsclo,ikpt=   30  524 max resid (incl. the buffer)=  1.59494E-08
  prteigrs : nnsclo,ikpt=   30  525 max resid (incl. the buffer)=  9.84211E-09
  prteigrs : nnsclo,ikpt=   30  526 max resid (incl. the buffer)=  2.43713E-08
  prteigrs : nnsclo,ikpt=   30  527 max resid (incl. the buffer)=  1.67324E-06
  prteigrs : nnsclo,ikpt=   30  528 max resid (incl. the buffer)=  3.76396E-08
  prteigrs : nnsclo,ikpt=   30  529 max resid (incl. the buffer)=  3.85402E-09
  prteigrs : nnsclo,ikpt=   30  530 max resid (incl. the buffer)=  2.26842E-05
  prteigrs : nnsclo,ikpt=   30  531 max resid (incl. the buffer)=  4.71395E-12
  prteigrs : nnsclo,ikpt=   30  532 max resid (incl. the buffer)=  1.11833E-10
  prteigrs : nnsclo,ikpt=   30  533 max resid (incl. the buffer)=  6.49773E-10
  prteigrs : nnsclo,ikpt=   30  535 max resid (incl. the buffer)=  9.30988E-13
  prteigrs : nnsclo,ikpt=   30  536 max resid (incl. the buffer)=  1.72647E-07
  prteigrs : nnsclo,ikpt=   30  537 max resid (incl. the buffer)=  4.46829E-08
  prteigrs : nnsclo,ikpt=   30  538 max resid (incl. the buffer)=  2.65213E-11
  prteigrs : nnsclo,ikpt=   30  539 max resid (incl. the buffer)=  3.71572E-10
  prteigrs : nnsclo,ikpt=   30  540 max resid (incl. the buffer)=  1.33276E-09
  prteigrs : nnsclo,ikpt=   30  541 max resid (incl. the buffer)=  3.77231E-10
  prteigrs : nnsclo,ikpt=   30  542 max resid (incl. the buffer)=  1.18663E-11
  prteigrs : nnsclo,ikpt=   30  543 max resid (incl. the buffer)=  4.82846E-08
  prteigrs : nnsclo,ikpt=   30  544 max resid (incl. the buffer)=  1.56296E-12
  prteigrs : nnsclo,ikpt=   30  545 max resid (incl. the buffer)=  2.93046E-11
  prteigrs : nnsclo,ikpt=   30  546 max resid (incl. the buffer)=  2.20149E-07
  prteigrs : nnsclo,ikpt=   30  548 max resid (incl. the buffer)=  5.93173E-08
  prteigrs : nnsclo,ikpt=   30  549 max resid (incl. the buffer)=  6.78736E-08
  prteigrs : nnsclo,ikpt=   30  550 max resid (incl. the buffer)=  4.91883E-11
  prteigrs : nnsclo,ikpt=   30  551 max resid (incl. the buffer)=  4.56154E-09
  prteigrs : nnsclo,ikpt=   30  552 max resid (incl. the buffer)=  2.10117E-11
  prteigrs : nnsclo,ikpt=   30  553 max resid (incl. the buffer)=  1.36809E-10
  prteigrs : nnsclo,ikpt=   30  554 max resid (incl. the buffer)=  4.01194E-05
  prteigrs : nnsclo,ikpt=   30  555 max resid (incl. the buffer)=  6.38905E-10
  prteigrs : nnsclo,ikpt=   30  556 max resid (incl. the buffer)=  1.95998E-11
  prteigrs : nnsclo,ikpt=   30  557 max resid (incl. the buffer)=  4.47747E-12
  prteigrs : nnsclo,ikpt=   30  558 max resid (incl. the buffer)=  1.50871E-05
  prteigrs : nnsclo,ikpt=   30  559 max resid (incl. the buffer)=  2.00632E-11
  prteigrs : nnsclo,ikpt=   30  560 max resid (incl. the buffer)=  1.03578E-13
  prteigrs : nnsclo,ikpt=   30  562 max resid (incl. the buffer)=  5.88722E-09
  prteigrs : nnsclo,ikpt=   30  563 max resid (incl. the buffer)=  3.98100E-06
  prteigrs : nnsclo,ikpt=   30  564 max resid (incl. the buffer)=  2.92475E-05
  prteigrs : nnsclo,ikpt=   30  565 max resid (incl. the buffer)=  6.28126E-13
  prteigrs : nnsclo,ikpt=   30  566 max resid (incl. the buffer)=  1.29889E-12
  prteigrs : nnsclo,ikpt=   30  568 max resid (incl. the buffer)=  3.44403E-09
  prteigrs : nnsclo,ikpt=   30  569 max resid (incl. the buffer)=  2.00391E-11
  prteigrs : nnsclo,ikpt=   30  570 max resid (incl. the buffer)=  2.09859E-08
  prteigrs : nnsclo,ikpt=   30  571 max resid (incl. the buffer)=  2.98054E-10
  prteigrs : nnsclo,ikpt=   30  572 max resid (incl. the buffer)=  6.10374E-10
  prteigrs : nnsclo,ikpt=   30  573 max resid (incl. the buffer)=  2.43299E-08
  prteigrs : nnsclo,ikpt=   30  574 max resid (incl. the buffer)=  3.75030E-11
  prteigrs : nnsclo,ikpt=   30  575 max resid (incl. the buffer)=  1.12297E-09
  prteigrs : nnsclo,ikpt=   30  576 max resid (incl. the buffer)=  3.56660E-06
  prteigrs : nnsclo,ikpt=   30  577 max resid (incl. the buffer)=  3.83673E-10
  prteigrs : nnsclo,ikpt=   30  578 max resid (incl. the buffer)=  2.13736E-10
  prteigrs : nnsclo,ikpt=   30  580 max resid (incl. the buffer)=  4.22020E-13
  prteigrs : nnsclo,ikpt=   30  581 max resid (incl. the buffer)=  6.67805E-09
  prteigrs : nnsclo,ikpt=   30  582 max resid (incl. the buffer)=  1.48166E-09
  prteigrs : nnsclo,ikpt=   30  583 max resid (incl. the buffer)=  2.31495E-07
  prteigrs : nnsclo,ikpt=   30  584 max resid (incl. the buffer)=  9.87207E-10
  prteigrs : nnsclo,ikpt=   30  585 max resid (incl. the buffer)=  1.90397E-10
  prteigrs : nnsclo,ikpt=   30  586 max resid (incl. the buffer)=  2.32830E-11
  prteigrs : nnsclo,ikpt=   30  587 max resid (incl. the buffer)=  1.53896E-12
  prteigrs : nnsclo,ikpt=   30  589 max resid (incl. the buffer)=  3.49650E-10
  prteigrs : nnsclo,ikpt=   30  590 max resid (incl. the buffer)=  5.21214E-10
  prteigrs : nnsclo,ikpt=   30  591 max resid (incl. the buffer)=  2.39405E-10
  prteigrs : nnsclo,ikpt=   30  592 max resid (incl. the buffer)=  4.66883E-12
  prteigrs : nnsclo,ikpt=   30  593 max resid (incl. the buffer)=  1.50002E-06
  prteigrs : nnsclo,ikpt=   30  594 max resid (incl. the buffer)=  4.26223E-08
  prteigrs : nnsclo,ikpt=   30  595 max resid (incl. the buffer)=  4.89851E-11
  prteigrs : nnsclo,ikpt=   30  596 max resid (incl. the buffer)=  6.69424E-12
  prteigrs : nnsclo,ikpt=   30  597 max resid (incl. the buffer)=  1.23479E-08
  prteigrs : nnsclo,ikpt=   30  598 max resid (incl. the buffer)=  4.36570E-12
  prteigrs : nnsclo,ikpt=   30  599 max resid (incl. the buffer)=  1.23546E-10
  prteigrs : nnsclo,ikpt=   30  600 max resid (incl. the buffer)=  4.55297E-13
  prteigrs : nnsclo,ikpt=   30  601 max resid (incl. the buffer)=  3.24045E-13
  prteigrs : nnsclo,ikpt=   30  602 max resid (incl. the buffer)=  2.88122E-12
  prteigrs : nnsclo,ikpt=   30  604 max resid (incl. the buffer)=  1.02190E-08
  prteigrs : nnsclo,ikpt=   30  605 max resid (incl. the buffer)=  4.38235E-08
  prteigrs : nnsclo,ikpt=   30  607 max resid (incl. the buffer)=  3.21999E-12
  prteigrs : nnsclo,ikpt=   30  608 max resid (incl. the buffer)=  2.99413E-12
  prteigrs : nnsclo,ikpt=   30  609 max resid (incl. the buffer)=  2.97918E-11
  prteigrs : nnsclo,ikpt=   30  610 max resid (incl. the buffer)=  1.14822E-07
  prteigrs : nnsclo,ikpt=   30  611 max resid (incl. the buffer)=  2.64080E-13
  prteigrs : nnsclo,ikpt=   30  612 max resid (incl. the buffer)=  3.45424E-12
  prteigrs : nnsclo,ikpt=   30  613 max resid (incl. the buffer)=  4.01397E-10
  prteigrs : nnsclo,ikpt=   30  614 max resid (incl. the buffer)=  9.38403E-07
  prteigrs : nnsclo,ikpt=   30  615 max resid (incl. the buffer)=  2.43442E-08
  prteigrs : nnsclo,ikpt=   30  616 max resid (incl. the buffer)=  1.18673E-09
  prteigrs : nnsclo,ikpt=   30  618 max resid (incl. the buffer)=  2.33124E-06
  prteigrs : nnsclo,ikpt=   30  619 max resid (incl. the buffer)=  9.17626E-11
  prteigrs : nnsclo,ikpt=   30  620 max resid (incl. the buffer)=  2.77861E-10
  prteigrs : nnsclo,ikpt=   30  622 max resid (incl. the buffer)=  3.99275E-10
  prteigrs : nnsclo,ikpt=   30  623 max resid (incl. the buffer)=  7.73592E-09
  prteigrs : nnsclo,ikpt=   30  624 max resid (incl. the buffer)=  1.26926E-06
  prteigrs : nnsclo,ikpt=   30  625 max resid (incl. the buffer)=  1.11975E-13
  prteigrs : nnsclo,ikpt=   30  626 max resid (incl. the buffer)=  9.53891E-09
  prteigrs : nnsclo,ikpt=   30  627 max resid (incl. the buffer)=  3.87714E-07
  prteigrs : nnsclo,ikpt=   30  628 max resid (incl. the buffer)=  1.86564E-08
  prteigrs : nnsclo,ikpt=   30  629 max resid (incl. the buffer)=  9.91101E-13
  prteigrs : nnsclo,ikpt=   30  630 max resid (incl. the buffer)=  1.83634E-05
  prteigrs : nnsclo,ikpt=   30  631 max resid (incl. the buffer)=  4.86390E-09
  prteigrs : nnsclo,ikpt=   30  632 max resid (incl. the buffer)=  9.92145E-06
  prteigrs : nnsclo,ikpt=   30  633 max resid (incl. the buffer)=  1.39178E-07
  prteigrs : nnsclo,ikpt=   30  634 max resid (incl. the buffer)=  4.50806E-05
  prteigrs : nnsclo,ikpt=   30  635 max resid (incl. the buffer)=  1.14289E-10
  prteigrs : nnsclo,ikpt=   30  636 max resid (incl. the buffer)=  2.27430E-08
  prteigrs : nnsclo,ikpt=   30  637 max resid (incl. the buffer)=  1.32268E-05
  prteigrs : nnsclo,ikpt=   30  638 max resid (incl. the buffer)=  1.47554E-07
  prteigrs : nnsclo,ikpt=   30  639 max resid (incl. the buffer)=  4.69403E-08
  prteigrs : nnsclo,ikpt=   30  640 max resid (incl. the buffer)=  1.24748E-09
  prteigrs : nnsclo,ikpt=   30  641 max resid (incl. the buffer)=  1.98572E-09
  prteigrs : nnsclo,ikpt=   30  642 max resid (incl. the buffer)=  1.26650E-06
  prteigrs : nnsclo,ikpt=   30  643 max resid (incl. the buffer)=  2.43428E-12
  prteigrs : nnsclo,ikpt=   30  644 max resid (incl. the buffer)=  3.40845E-08
  prteigrs : nnsclo,ikpt=   30  645 max resid (incl. the buffer)=  9.98076E-10
  prteigrs : nnsclo,ikpt=   30  646 max resid (incl. the buffer)=  4.55641E-12
  prteigrs : nnsclo,ikpt=   30  648 max resid (incl. the buffer)=  1.09520E-05
  prteigrs : nnsclo,ikpt=   30  649 max resid (incl. the buffer)=  1.49111E-12
  prteigrs : nnsclo,ikpt=   30  650 max resid (incl. the buffer)=  2.15757E-09
  prteigrs : nnsclo,ikpt=   30  652 max resid (incl. the buffer)=  4.28417E-11
  prteigrs : nnsclo,ikpt=   30  653 max resid (incl. the buffer)=  2.12915E-07
  prteigrs : nnsclo,ikpt=   30  654 max resid (incl. the buffer)=  2.03496E-07
  prteigrs : nnsclo,ikpt=   30  655 max resid (incl. the buffer)=  1.58747E-12
  prteigrs : nnsclo,ikpt=   30  656 max resid (incl. the buffer)=  1.78522E-10
  prteigrs : nnsclo,ikpt=   30  657 max resid (incl. the buffer)=  2.15555E-11
  prteigrs : nnsclo,ikpt=   30  658 max resid (incl. the buffer)=  1.43737E-11
  prteigrs : nnsclo,ikpt=   30  659 max resid (incl. the buffer)=  2.28143E-12
  prteigrs : nnsclo,ikpt=   30  660 max resid (incl. the buffer)=  1.58147E-08
  prteigrs : nnsclo,ikpt=   30  661 max resid (incl. the buffer)=  6.17617E-12
  prteigrs : nnsclo,ikpt=   30  663 max resid (incl. the buffer)=  2.07621E-10
  prteigrs : nnsclo,ikpt=   30  664 max resid (incl. the buffer)=  4.70236E-07
  prteigrs : nnsclo,ikpt=   30  666 max resid (incl. the buffer)=  1.87158E-11
  prteigrs : nnsclo,ikpt=   30  667 max resid (incl. the buffer)=  2.21869E-13
  prteigrs : nnsclo,ikpt=   30  668 max resid (incl. the buffer)=  2.05806E-06
  prteigrs : nnsclo,ikpt=   30  669 max resid (incl. the buffer)=  1.31071E-13
  prteigrs : nnsclo,ikpt=   30  670 max resid (incl. the buffer)=  1.29445E-08
  prteigrs : nnsclo,ikpt=   30  671 max resid (incl. the buffer)=  2.50896E-12
  prteigrs : nnsclo,ikpt=   30  672 max resid (incl. the buffer)=  1.63572E-05
  prteigrs : nnsclo,ikpt=   30  673 max resid (incl. the buffer)=  2.12888E-08
  prteigrs : nnsclo,ikpt=   30  674 max resid (incl. the buffer)=  4.20203E-05
  prteigrs : nnsclo,ikpt=   30  675 max resid (incl. the buffer)=  6.35142E-08
  prteigrs : nnsclo,ikpt=   30  676 max resid (incl. the buffer)=  2.84860E-11
  prteigrs : nnsclo,ikpt=   30  677 max resid (incl. the buffer)=  5.84260E-10
  prteigrs : nnsclo,ikpt=   30  678 max resid (incl. the buffer)=  8.54755E-11
  prteigrs : nnsclo,ikpt=   30  679 max resid (incl. the buffer)=  2.30269E-11
  prteigrs : nnsclo,ikpt=   30  681 max resid (incl. the buffer)=  1.47722E-12
  prteigrs : nnsclo,ikpt=   30  682 max resid (incl. the buffer)=  5.47384E-11
  prteigrs : nnsclo,ikpt=   30  683 max resid (incl. the buffer)=  4.24839E-12
  prteigrs : nnsclo,ikpt=   30  684 max resid (incl. the buffer)=  9.09331E-08
  prteigrs : nnsclo,ikpt=   30  685 max resid (incl. the buffer)=  5.48783E-10
  prteigrs : nnsclo,ikpt=   30  686 max resid (incl. the buffer)=  2.74780E-12
  prteigrs : nnsclo,ikpt=   30  689 max resid (incl. the buffer)=  1.33145E-10
  prteigrs : nnsclo,ikpt=   30  690 max resid (incl. the buffer)=  7.16880E-11
  prteigrs : nnsclo,ikpt=   30  691 max resid (incl. the buffer)=  2.32193E-07
  prteigrs : nnsclo,ikpt=   30  692 max resid (incl. the buffer)=  2.25391E-10
  prteigrs : nnsclo,ikpt=   30  693 max resid (incl. the buffer)=  2.59655E-08
  prteigrs : nnsclo,ikpt=   30  694 max resid (incl. the buffer)=  1.47011E-08
  prteigrs : nnsclo,ikpt=   30  695 max resid (incl. the buffer)=  9.52123E-09
  prteigrs : nnsclo,ikpt=   30  696 max resid (incl. the buffer)=  1.29142E-08
  prteigrs : nnsclo,ikpt=   30  697 max resid (incl. the buffer)=  8.89121E-11
  prteigrs : nnsclo,ikpt=   30  700 max resid (incl. the buffer)=  6.14137E-11
  prteigrs : nnsclo,ikpt=   30  701 max resid (incl. the buffer)=  1.03176E-05
  prteigrs : nnsclo,ikpt=   30  702 max resid (incl. the buffer)=  6.81262E-10
  prteigrs : nnsclo,ikpt=   30  703 max resid (incl. the buffer)=  6.09038E-10
  prteigrs : nnsclo,ikpt=   30  704 max resid (incl. the buffer)=  9.86192E-08
  prteigrs : nnsclo,ikpt=   30  705 max resid (incl. the buffer)=  1.51659E-05
  prteigrs : nnsclo,ikpt=   30  706 max resid (incl. the buffer)=  1.61009E-08
  prteigrs : nnsclo,ikpt=   30  707 max resid (incl. the buffer)=  6.38151E-13
  prteigrs : nnsclo,ikpt=   30  708 max resid (incl. the buffer)=  1.97624E-07
  prteigrs : nnsclo,ikpt=   30  709 max resid (incl. the buffer)=  1.25562E-09
  prteigrs : nnsclo,ikpt=   30  710 max resid (incl. the buffer)=  4.32347E-08
  prteigrs : nnsclo,ikpt=   30  711 max resid (incl. the buffer)=  8.25434E-11
  prteigrs : nnsclo,ikpt=   30  712 max resid (incl. the buffer)=  2.01524E-08
  prteigrs : nnsclo,ikpt=   30  713 max resid (incl. the buffer)=  1.33093E-09
  prteigrs : nnsclo,ikpt=   30  714 max resid (incl. the buffer)=  1.09916E-09
  prteigrs : nnsclo,ikpt=   30  715 max resid (incl. the buffer)=  4.95448E-08
  prteigrs : nnsclo,ikpt=   30  716 max resid (incl. the buffer)=  7.06847E-10
  prteigrs : nnsclo,ikpt=   30  717 max resid (incl. the buffer)=  3.08301E-10
  prteigrs : nnsclo,ikpt=   30  718 max resid (incl. the buffer)=  2.81420E-12
  prteigrs : nnsclo,ikpt=   30  720 max resid (incl. the buffer)=  8.09398E-13
  prteigrs : nnsclo,ikpt=   30  721 max resid (incl. the buffer)=  1.34839E-09
  prteigrs : nnsclo,ikpt=   30  722 max resid (incl. the buffer)=  2.41225E-09
  prteigrs : nnsclo,ikpt=   30  723 max resid (incl. the buffer)=  2.22824E-07
  prteigrs : nnsclo,ikpt=   30  724 max resid (incl. the buffer)=  2.44089E-09
  prteigrs : nnsclo,ikpt=   30  725 max resid (incl. the buffer)=  2.72798E-09
  prteigrs : nnsclo,ikpt=   30  726 max resid (incl. the buffer)=  1.12613E-05
  prteigrs : nnsclo,ikpt=   30  727 max resid (incl. the buffer)=  1.34011E-09
  prteigrs : nnsclo,ikpt=   30  728 max resid (incl. the buffer)=  4.33450E-10
  prteigrs : nnsclo,ikpt=   30  729 max resid (incl. the buffer)=  2.53707E-10
  prteigrs : nnsclo,ikpt=   30  730 max resid (incl. the buffer)=  5.09939E-12
  prteigrs : nnsclo,ikpt=   30  731 max resid (incl. the buffer)=  3.00235E-10
  prteigrs : nnsclo,ikpt=   30  732 max resid (incl. the buffer)=  5.67674E-11
  prteigrs : nnsclo,ikpt=   30  733 max resid (incl. the buffer)=  1.28794E-09
  prteigrs : nnsclo,ikpt=   30  734 max resid (incl. the buffer)=  8.88917E-07
  prteigrs : nnsclo,ikpt=   30  735 max resid (incl. the buffer)=  7.91368E-10
  prteigrs : nnsclo,ikpt=   30  736 max resid (incl. the buffer)=  5.64767E-11
  prteigrs : nnsclo,ikpt=   30  737 max resid (incl. the buffer)=  1.12663E-08
  prteigrs : nnsclo,ikpt=   30  738 max resid (incl. the buffer)=  1.06585E-09
  prteigrs : nnsclo,ikpt=   30  739 max resid (incl. the buffer)=  1.68052E-07
  prteigrs : nnsclo,ikpt=   30  741 max resid (incl. the buffer)=  9.04150E-05
  prteigrs : nnsclo,ikpt=   30  742 max resid (incl. the buffer)=  1.43223E-07
  prteigrs : nnsclo,ikpt=   30  743 max resid (incl. the buffer)=  2.73993E-08
  prteigrs : nnsclo,ikpt=   30  744 max resid (incl. the buffer)=  2.35437E-09
  prteigrs : nnsclo,ikpt=   30  745 max resid (incl. the buffer)=  3.13977E-07
  prteigrs : nnsclo,ikpt=   30  746 max resid (incl. the buffer)=  1.27899E-09
  prteigrs : nnsclo,ikpt=   30  747 max resid (incl. the buffer)=  9.07555E-09
  prteigrs : nnsclo,ikpt=   30  748 max resid (incl. the buffer)=  6.14370E-10
  prteigrs : nnsclo,ikpt=   30  749 max resid (incl. the buffer)=  6.11008E-10
  prteigrs : nnsclo,ikpt=   30  750 max resid (incl. the buffer)=  3.44934E-10
  prteigrs : nnsclo,ikpt=   30  751 max resid (incl. the buffer)=  2.14229E-09
  prteigrs : nnsclo,ikpt=   30  752 max resid (incl. the buffer)=  5.09478E-10
  prteigrs : nnsclo,ikpt=   30  753 max resid (incl. the buffer)=  1.42800E-06
  prteigrs : nnsclo,ikpt=   30  754 max resid (incl. the buffer)=  1.17583E-10
  prteigrs : nnsclo,ikpt=   30  755 max resid (incl. the buffer)=  5.17535E-10
  prteigrs : nnsclo,ikpt=   30  756 max resid (incl. the buffer)=  1.69460E-08
  prteigrs : nnsclo,ikpt=   30  757 max resid (incl. the buffer)=  5.76773E-11
  prteigrs : nnsclo,ikpt=   30  758 max resid (incl. the buffer)=  1.01655E-06
  prteigrs : nnsclo,ikpt=   30  760 max resid (incl. the buffer)=  3.49514E-12
  prteigrs : nnsclo,ikpt=   30  761 max resid (incl. the buffer)=  2.97187E-12
  prteigrs : nnsclo,ikpt=   30  762 max resid (incl. the buffer)=  2.47180E-09
  prteigrs : nnsclo,ikpt=   30  763 max resid (incl. the buffer)=  3.16835E-09
  prteigrs : nnsclo,ikpt=   30  764 max resid (incl. the buffer)=  2.60740E-07
  prteigrs : nnsclo,ikpt=   30  765 max resid (incl. the buffer)=  7.79854E-08
  prteigrs : nnsclo,ikpt=   30  766 max resid (incl. the buffer)=  2.15241E-11
  prteigrs : nnsclo,ikpt=   30  767 max resid (incl. the buffer)=  5.28814E-11
  prteigrs : nnsclo,ikpt=   30  768 max resid (incl. the buffer)=  5.83129E-10
  prteigrs : nnsclo,ikpt=   30  771 max resid (incl. the buffer)=  3.49139E-06
  prteigrs : nnsclo,ikpt=   30  772 max resid (incl. the buffer)=  2.10397E-12
  prteigrs : nnsclo,ikpt=   30  773 max resid (incl. the buffer)=  4.42537E-10
  prteigrs : nnsclo,ikpt=   30  774 max resid (incl. the buffer)=  4.48218E-09
  prteigrs : nnsclo,ikpt=   30  775 max resid (incl. the buffer)=  3.14225E-10
  prteigrs : nnsclo,ikpt=   30  776 max resid (incl. the buffer)=  5.54026E-08
  prteigrs : nnsclo,ikpt=   30  777 max resid (incl. the buffer)=  1.13895E-12
  prteigrs : nnsclo,ikpt=   30  778 max resid (incl. the buffer)=  9.49260E-06
  prteigrs : nnsclo,ikpt=   30  779 max resid (incl. the buffer)=  3.01992E-06
  prteigrs : nnsclo,ikpt=   30  780 max resid (incl. the buffer)=  3.88235E-07
  prteigrs : nnsclo,ikpt=   30  781 max resid (incl. the buffer)=  1.07294E-08
  prteigrs : nnsclo,ikpt=   30  783 max resid (incl. the buffer)=  1.79789E-11
  prteigrs : nnsclo,ikpt=   30  784 max resid (incl. the buffer)=  9.69291E-09
  prteigrs : nnsclo,ikpt=   30  785 max resid (incl. the buffer)=  2.17979E-10
  prteigrs : nnsclo,ikpt=   30  787 max resid (incl. the buffer)=  4.36802E-12
  prteigrs : nnsclo,ikpt=   30  788 max resid (incl. the buffer)=  8.00377E-08
  prteigrs : nnsclo,ikpt=   30  789 max resid (incl. the buffer)=  1.97144E-08
  prteigrs : nnsclo,ikpt=   30  790 max resid (incl. the buffer)=  6.23614E-11
  prteigrs : nnsclo,ikpt=   30  791 max resid (incl. the buffer)=  1.95126E-08
  prteigrs : nnsclo,ikpt=   30  792 max resid (incl. the buffer)=  7.61153E-13
  prteigrs : nnsclo,ikpt=   30  793 max resid (incl. the buffer)=  1.10482E-11
  prteigrs : nnsclo,ikpt=   30  794 max resid (incl. the buffer)=  2.68852E-13
  prteigrs : nnsclo,ikpt=   30  795 max resid (incl. the buffer)=  4.86867E-07
  prteigrs : nnsclo,ikpt=   30  796 max resid (incl. the buffer)=  8.27351E-12
  prteigrs : nnsclo,ikpt=   30  798 max resid (incl. the buffer)=  2.63225E-06
  prteigrs : nnsclo,ikpt=   30  799 max resid (incl. the buffer)=  4.70989E-09
  prteigrs : nnsclo,ikpt=   30  800 max resid (incl. the buffer)=  1.46569E-07
  prteigrs : nnsclo,ikpt=   30  802 max resid (incl. the buffer)=  1.09082E-10
  prteigrs : nnsclo,ikpt=   30  803 max resid (incl. the buffer)=  6.75093E-13
  prteigrs : nnsclo,ikpt=   30  804 max resid (incl. the buffer)=  7.86292E-11
  prteigrs : nnsclo,ikpt=   30  806 max resid (incl. the buffer)=  8.10260E-09
  prteigrs : nnsclo,ikpt=   30  807 max resid (incl. the buffer)=  3.87539E-13
  prteigrs : nnsclo,ikpt=   30  808 max resid (incl. the buffer)=  1.31133E-09
  prteigrs : nnsclo,ikpt=   30  809 max resid (incl. the buffer)=  1.27658E-04
  prteigrs : nnsclo,ikpt=   30  810 max resid (incl. the buffer)=  7.71811E-13
  prteigrs : nnsclo,ikpt=   30  811 max resid (incl. the buffer)=  8.55177E-12
  prteigrs : nnsclo,ikpt=   30  812 max resid (incl. the buffer)=  1.36058E-09
  prteigrs : nnsclo,ikpt=   30  813 max resid (incl. the buffer)=  1.44476E-13
  prteigrs : nnsclo,ikpt=   30  814 max resid (incl. the buffer)=  1.62818E-11
  prteigrs : nnsclo,ikpt=   30  815 max resid (incl. the buffer)=  3.80030E-08
  prteigrs : nnsclo,ikpt=   30  816 max resid (incl. the buffer)=  3.54634E-10
  prteigrs : nnsclo,ikpt=   30  817 max resid (incl. the buffer)=  1.05085E-10
  prteigrs : nnsclo,ikpt=   30  819 max resid (incl. the buffer)=  7.49871E-09
  prteigrs : nnsclo,ikpt=   30  820 max resid (incl. the buffer)=  4.08970E-10
  prteigrs : nnsclo,ikpt=   30  821 max resid (incl. the buffer)=  2.70551E-12
  prteigrs : nnsclo,ikpt=   30  822 max resid (incl. the buffer)=  3.10667E-12
  prteigrs : nnsclo,ikpt=   30  823 max resid (incl. the buffer)=  1.41540E-13
  prteigrs : nnsclo,ikpt=   30  824 max resid (incl. the buffer)=  1.05332E-07
  prteigrs : nnsclo,ikpt=   30  825 max resid (incl. the buffer)=  3.64333E-12
  prteigrs : nnsclo,ikpt=   30  826 max resid (incl. the buffer)=  1.88374E-08
  prteigrs : nnsclo,ikpt=   30  827 max resid (incl. the buffer)=  3.64373E-13
  prteigrs : nnsclo,ikpt=   30  828 max resid (incl. the buffer)=  1.58024E-08
  prteigrs : nnsclo,ikpt=   30  829 max resid (incl. the buffer)=  5.37760E-12
  prteigrs : nnsclo,ikpt=   30  830 max resid (incl. the buffer)=  3.73674E-13
  prteigrs : nnsclo,ikpt=   30  831 max resid (incl. the buffer)=  3.49392E-11
  prteigrs : nnsclo,ikpt=   30  832 max resid (incl. the buffer)=  3.29108E-11
  prteigrs : nnsclo,ikpt=   30  833 max resid (incl. the buffer)=  1.58794E-09
  prteigrs : nnsclo,ikpt=   30  835 max resid (incl. the buffer)=  7.40789E-13
  prteigrs : nnsclo,ikpt=   30  836 max resid (incl. the buffer)=  9.78300E-07
  prteigrs : nnsclo,ikpt=   30  837 max resid (incl. the buffer)=  4.29633E-08
  prteigrs : nnsclo,ikpt=   30  838 max resid (incl. the buffer)=  3.99283E-09
  prteigrs : nnsclo,ikpt=   30  839 max resid (incl. the buffer)=  1.60388E-10
  prteigrs : nnsclo,ikpt=   30  840 max resid (incl. the buffer)=  1.69834E-12
  prteigrs : nnsclo,ikpt=   30  841 max resid (incl. the buffer)=  3.05524E-13
  prteigrs : nnsclo,ikpt=   30  842 max resid (incl. the buffer)=  1.13426E-09
  prteigrs : nnsclo,ikpt=   30  843 max resid (incl. the buffer)=  9.84422E-13
  prteigrs : nnsclo,ikpt=   30  844 max resid (incl. the buffer)=  1.19648E-11
  prteigrs : nnsclo,ikpt=   30  845 max resid (incl. the buffer)=  6.66925E-10
  prteigrs : nnsclo,ikpt=   30  846 max resid (incl. the buffer)=  6.24521E-10
  prteigrs : nnsclo,ikpt=   30  848 max resid (incl. the buffer)=  1.96786E-09
  prteigrs : nnsclo,ikpt=   30  850 max resid (incl. the buffer)=  1.81377E-06
  prteigrs : nnsclo,ikpt=   30  851 max resid (incl. the buffer)=  7.86210E-10
  prteigrs : nnsclo,ikpt=   30  852 max resid (incl. the buffer)=  1.32875E-10
  prteigrs : nnsclo,ikpt=   30  853 max resid (incl. the buffer)=  1.63840E-08
  prteigrs : nnsclo,ikpt=   30  854 max resid (incl. the buffer)=  1.76192E-07
  prteigrs : nnsclo,ikpt=   30  855 max resid (incl. the buffer)=  4.94408E-10
  prteigrs : nnsclo,ikpt=   30  856 max resid (incl. the buffer)=  5.47248E-13
  prteigrs : nnsclo,ikpt=   30  857 max resid (incl. the buffer)=  4.05600E-12
  prteigrs : nnsclo,ikpt=   30  858 max resid (incl. the buffer)=  9.42180E-13
  prteigrs : nnsclo,ikpt=   30  859 max resid (incl. the buffer)=  3.04104E-08
  prteigrs : nnsclo,ikpt=   30  860 max resid (incl. the buffer)=  2.32050E-10
  prteigrs : nnsclo,ikpt=   30  861 max resid (incl. the buffer)=  6.35841E-12
  prteigrs : nnsclo,ikpt=   30  862 max resid (incl. the buffer)=  1.83680E-08
  prteigrs : nnsclo,ikpt=   30  864 max resid (incl. the buffer)=  2.22556E-07
  prteigrs : nnsclo,ikpt=   30  865 max resid (incl. the buffer)=  1.58001E-10
  prteigrs : nnsclo,ikpt=   30  866 max resid (incl. the buffer)=  6.04107E-13
  prteigrs : nnsclo,ikpt=   30  867 max resid (incl. the buffer)=  1.35160E-13
  prteigrs : nnsclo,ikpt=   30  868 max resid (incl. the buffer)=  1.23610E-13
  prteigrs : nnsclo,ikpt=   30  869 max resid (incl. the buffer)=  3.21689E-12
  prteigrs : nnsclo,ikpt=   30  870 max resid (incl. the buffer)=  9.86719E-11
  prteigrs : nnsclo,ikpt=   30  871 max resid (incl. the buffer)=  1.71735E-12
  prteigrs : nnsclo,ikpt=   30  873 max resid (incl. the buffer)=  6.85927E-10
  prteigrs : nnsclo,ikpt=   30  874 max resid (incl. the buffer)=  1.70979E-09
  prteigrs : nnsclo,ikpt=   30  875 max resid (incl. the buffer)=  4.15114E-11
  prteigrs : nnsclo,ikpt=   30  876 max resid (incl. the buffer)=  1.04362E-13
  prteigrs : nnsclo,ikpt=   30  878 max resid (incl. the buffer)=  3.26072E-07
  prteigrs : nnsclo,ikpt=   30  879 max resid (incl. the buffer)=  4.94884E-08
  prteigrs : nnsclo,ikpt=   30  880 max resid (incl. the buffer)=  6.06122E-09
  prteigrs : nnsclo,ikpt=   30  881 max resid (incl. the buffer)=  2.87475E-08
  prteigrs : nnsclo,ikpt=   30  882 max resid (incl. the buffer)=  1.94068E-08
  prteigrs : nnsclo,ikpt=   30  883 max resid (incl. the buffer)=  1.86473E-10
  prteigrs : nnsclo,ikpt=   30  884 max resid (incl. the buffer)=  9.85587E-10
  prteigrs : nnsclo,ikpt=   30  885 max resid (incl. the buffer)=  9.04431E-12
  prteigrs : nnsclo,ikpt=   30  886 max resid (incl. the buffer)=  3.26255E-11
  prteigrs : nnsclo,ikpt=   30  887 max resid (incl. the buffer)=  8.08093E-11
  prteigrs : nnsclo,ikpt=   30  888 max resid (incl. the buffer)=  5.84421E-09
  prteigrs : nnsclo,ikpt=   30  891 max resid (incl. the buffer)=  3.57956E-11
  prteigrs : nnsclo,ikpt=   30  892 max resid (incl. the buffer)=  1.65741E-11
  prteigrs : nnsclo,ikpt=   30  893 max resid (incl. the buffer)=  2.37093E-13
  prteigrs : nnsclo,ikpt=   30  894 max resid (incl. the buffer)=  7.93242E-12
  prteigrs : nnsclo,ikpt=   30  895 max resid (incl. the buffer)=  3.79267E-07
  prteigrs : nnsclo,ikpt=   30  896 max resid (incl. the buffer)=  6.32492E-12
  prteigrs : nnsclo,ikpt=   30  897 max resid (incl. the buffer)=  1.89062E-13
  prteigrs : nnsclo,ikpt=   30  898 max resid (incl. the buffer)=  3.52991E-09
  prteigrs : nnsclo,ikpt=   30  899 max resid (incl. the buffer)=  2.50041E-12
  prteigrs : nnsclo,ikpt=   30  900 max resid (incl. the buffer)=  5.72744E-13
  prteigrs : nnsclo,ikpt=   30  902 max resid (incl. the buffer)=  8.33754E-13
  prteigrs : nnsclo,ikpt=   30  903 max resid (incl. the buffer)=  7.04986E-11
  prteigrs : nnsclo,ikpt=   30  904 max resid (incl. the buffer)=  9.25989E-11
  prteigrs : nnsclo,ikpt=   30  905 max resid (incl. the buffer)=  2.12888E-13
  prteigrs : nnsclo,ikpt=   30  906 max resid (incl. the buffer)=  1.48907E-12
  prteigrs : nnsclo,ikpt=   30  907 max resid (incl. the buffer)=  3.07749E-12
  prteigrs : nnsclo,ikpt=   30  908 max resid (incl. the buffer)=  7.79415E-10
  prteigrs : nnsclo,ikpt=   30  909 max resid (incl. the buffer)=  1.59711E-10
  prteigrs : nnsclo,ikpt=   30  911 max resid (incl. the buffer)=  4.60357E-12
  prteigrs : nnsclo,ikpt=   30  912 max resid (incl. the buffer)=  3.95459E-08
  prteigrs : nnsclo,ikpt=   30  913 max resid (incl. the buffer)=  1.17550E-09
  prteigrs : nnsclo,ikpt=   30  914 max resid (incl. the buffer)=  2.08945E-13
  prteigrs : nnsclo,ikpt=   30  915 max resid (incl. the buffer)=  1.46646E-10
  prteigrs : nnsclo,ikpt=   30  916 max resid (incl. the buffer)=  2.77332E-07
  prteigrs : nnsclo,ikpt=   30  917 max resid (incl. the buffer)=  8.80473E-13
  prteigrs : nnsclo,ikpt=   30  918 max resid (incl. the buffer)=  3.53044E-12
  prteigrs : nnsclo,ikpt=   30  919 max resid (incl. the buffer)=  1.02300E-11
  prteigrs : nnsclo,ikpt=   30  920 max resid (incl. the buffer)=  2.66466E-10
  prteigrs : nnsclo,ikpt=   30  921 max resid (incl. the buffer)=  2.46824E-08
  prteigrs : nnsclo,ikpt=   30  922 max resid (incl. the buffer)=  3.82879E-10
  prteigrs : nnsclo,ikpt=   30  923 max resid (incl. the buffer)=  1.63061E-07
  prteigrs : nnsclo,ikpt=   30  924 max resid (incl. the buffer)=  2.92429E-13
  prteigrs : nnsclo,ikpt=   30  925 max resid (incl. the buffer)=  6.43970E-10
  prteigrs : nnsclo,ikpt=   30  926 max resid (incl. the buffer)=  1.94890E-08
  prteigrs : nnsclo,ikpt=   30  927 max resid (incl. the buffer)=  4.29318E-10
  prteigrs : nnsclo,ikpt=   30  928 max resid (incl. the buffer)=  1.34993E-10
  prteigrs : nnsclo,ikpt=   30  929 max resid (incl. the buffer)=  1.06924E-12
  prteigrs : nnsclo,ikpt=   30  930 max resid (incl. the buffer)=  7.08766E-09
  prteigrs : nnsclo,ikpt=   30  931 max resid (incl. the buffer)=  2.68470E-08
  prteigrs : nnsclo,ikpt=   30  933 max resid (incl. the buffer)=  1.70642E-13
  prteigrs : nnsclo,ikpt=   30  934 max resid (incl. the buffer)=  2.73438E-11
  prteigrs : nnsclo,ikpt=   30  935 max resid (incl. the buffer)=  1.59027E-13
  prteigrs : nnsclo,ikpt=   30  936 max resid (incl. the buffer)=  1.13990E-10
  prteigrs : nnsclo,ikpt=   30  937 max resid (incl. the buffer)=  6.34567E-12
  prteigrs : nnsclo,ikpt=   30  938 max resid (incl. the buffer)=  3.07648E-10
  prteigrs : nnsclo,ikpt=   30  939 max resid (incl. the buffer)=  6.67169E-11
  prteigrs : nnsclo,ikpt=   30  940 max resid (incl. the buffer)=  2.89143E-11
  prteigrs : nnsclo,ikpt=   30  941 max resid (incl. the buffer)=  3.34466E-13
  prteigrs : nnsclo,ikpt=   30  942 max resid (incl. the buffer)=  1.29565E-10
  prteigrs : nnsclo,ikpt=   30  943 max resid (incl. the buffer)=  1.15578E-09
  prteigrs : nnsclo,ikpt=   30  944 max resid (incl. the buffer)=  3.67558E-12
  prteigrs : nnsclo,ikpt=   30  945 max resid (incl. the buffer)=  2.14640E-11
  prteigrs : nnsclo,ikpt=   30  946 max resid (incl. the buffer)=  2.56374E-08
  prteigrs : nnsclo,ikpt=   30  947 max resid (incl. the buffer)=  2.46909E-12
  prteigrs : nnsclo,ikpt=   30  948 max resid (incl. the buffer)=  4.00408E-08
  prteigrs : nnsclo,ikpt=   30  949 max resid (incl. the buffer)=  5.00601E-06
  prteigrs : nnsclo,ikpt=   30  950 max resid (incl. the buffer)=  1.18570E-08
  prteigrs : nnsclo,ikpt=   30  951 max resid (incl. the buffer)=  7.05646E-11
  prteigrs : nnsclo,ikpt=   30  952 max resid (incl. the buffer)=  1.91434E-10
  prteigrs : nnsclo,ikpt=   30  953 max resid (incl. the buffer)=  1.19081E-06
  prteigrs : nnsclo,ikpt=   30  954 max resid (incl. the buffer)=  2.29295E-11
  prteigrs : nnsclo,ikpt=   30  955 max resid (incl. the buffer)=  2.06165E-09
  prteigrs : nnsclo,ikpt=   30  956 max resid (incl. the buffer)=  6.44737E-13
  prteigrs : nnsclo,ikpt=   30  957 max resid (incl. the buffer)=  1.05443E-11
  prteigrs : nnsclo,ikpt=   30  958 max resid (incl. the buffer)=  6.04821E-11
  prteigrs : nnsclo,ikpt=   30  959 max resid (incl. the buffer)=  1.77982E-10
  prteigrs : nnsclo,ikpt=   30  961 max resid (incl. the buffer)=  1.97310E-09
  prteigrs : nnsclo,ikpt=   30  962 max resid (incl. the buffer)=  9.31448E-13
  prteigrs : nnsclo,ikpt=   30  963 max resid (incl. the buffer)=  1.33403E-08
  prteigrs : nnsclo,ikpt=   30  964 max resid (incl. the buffer)=  4.66920E-11
  prteigrs : nnsclo,ikpt=   30  965 max resid (incl. the buffer)=  8.30623E-11
  prteigrs : nnsclo,ikpt=   30  966 max resid (incl. the buffer)=  3.66317E-10
  prteigrs : nnsclo,ikpt=   30  967 max resid (incl. the buffer)=  1.75457E-09
  prteigrs : nnsclo,ikpt=   30  968 max resid (incl. the buffer)=  3.16645E-13
  prteigrs : nnsclo,ikpt=   30  969 max resid (incl. the buffer)=  1.97986E-13
  prteigrs : nnsclo,ikpt=   30  970 max resid (incl. the buffer)=  3.09543E-11
  prteigrs : nnsclo,ikpt=   30  971 max resid (incl. the buffer)=  4.74396E-08
  prteigrs : nnsclo,ikpt=   30  972 max resid (incl. the buffer)=  1.60685E-12
  prteigrs : nnsclo,ikpt=   30  973 max resid (incl. the buffer)=  5.35188E-10
  prteigrs : nnsclo,ikpt=   30  974 max resid (incl. the buffer)=  4.12794E-13
  prteigrs : nnsclo,ikpt=   30  975 max resid (incl. the buffer)=  2.15641E-09
  prteigrs : nnsclo,ikpt=   30  976 max resid (incl. the buffer)=  7.37981E-12
  prteigrs : nnsclo,ikpt=   30  978 max resid (incl. the buffer)=  8.74381E-08
  prteigrs : nnsclo,ikpt=   30  979 max resid (incl. the buffer)=  1.06023E-10
  prteigrs : nnsclo,ikpt=   30  980 max resid (incl. the buffer)=  2.02531E-08
  prteigrs : nnsclo,ikpt=   30  981 max resid (incl. the buffer)=  3.21133E-12
  prteigrs : nnsclo,ikpt=   30  982 max resid (incl. the buffer)=  2.57044E-12
  prteigrs : nnsclo,ikpt=   30  983 max resid (incl. the buffer)=  1.04239E-12
  prteigrs : nnsclo,ikpt=   30  984 max resid (incl. the buffer)=  2.12046E-12
  prteigrs : nnsclo,ikpt=   30  985 max resid (incl. the buffer)=  1.60120E-05
  prteigrs : nnsclo,ikpt=   30  986 max resid (incl. the buffer)=  1.02297E-09
  prteigrs : nnsclo,ikpt=   30  987 max resid (incl. the buffer)=  1.19227E-13
  prteigrs : nnsclo,ikpt=   30  988 max resid (incl. the buffer)=  3.40859E-08
  prteigrs : nnsclo,ikpt=   30  989 max resid (incl. the buffer)=  2.52513E-12
  prteigrs : nnsclo,ikpt=   30  990 max resid (incl. the buffer)=  1.44939E-12
  prteigrs : nnsclo,ikpt=   30  991 max resid (incl. the buffer)=  5.20631E-13
  prteigrs : nnsclo,ikpt=   30  992 max resid (incl. the buffer)=  7.06046E-12
  prteigrs : nnsclo,ikpt=   30  993 max resid (incl. the buffer)=  6.15415E-08
  prteigrs : nnsclo,ikpt=   30  994 max resid (incl. the buffer)=  4.06919E-10
  prteigrs : nnsclo,ikpt=   30  995 max resid (incl. the buffer)=  2.72473E-12
  prteigrs : nnsclo,ikpt=   30  997 max resid (incl. the buffer)=  2.20373E-09
  prteigrs : nnsclo,ikpt=   30  998 max resid (incl. the buffer)=  9.10443E-08
  prteigrs : nnsclo,ikpt=   30  999 max resid (incl. the buffer)=  2.27866E-13
================================================================================
 
 ----iterations are completed or convergence reached----
 
 Mean square residual over all n,k,spin=   8.9949E-08; max=  1.2368E-04
   0.0470  0.0370  0.0310    1  8.36392E-14 kpt; spin; max resid(k); each band:
  7.90E-14 1.06E-14 6.92E-14 8.13E-14 7.26E-15 1.53E-14 8.29E-14 5.59E-14
  6.27E-14 4.93E-14 4.77E-14 2.72E-14 1.62E-14 8.36E-14 5.25E-14
   0.0470  0.0370  0.1310    1  1.46697E-13 kpt; spin; max resid(k); each band:
  5.31E-14 6.34E-14 2.03E-14 1.29E-14 7.46E-14 6.82E-14 1.87E-14 8.70E-14
  3.90E-15 6.48E-14 6.98E-14 1.14E-14 3.79E-14 5.66E-14 1.47E-13
   0.0470  0.0370  0.2310    1  5.76583E-07 kpt; spin; max resid(k); each band:
  4.12E-14 3.23E-14 4.62E-14 4.30E-14 4.92E-14 1.36E-14 5.65E-14 4.70E-14
  8.16E-14 1.09E-14 8.75E-15 5.93E-14 5.83E-14 3.44E-13 5.77E-07
   0.0470  0.0370  0.3310    1  5.78158E-10 kpt; spin; max resid(k); each band:
  6.09E-14 1.12E-14 8.08E-14 1.18E-14 6.69E-14 8.74E-14 1.36E-14 3.96E-14
  8.56E-14 7.63E-14 1.58E-14 2.39E-14 6.50E-14 2.12E-13 5.78E-10
   0.0470  0.0370  0.4310    1  9.10177E-14 kpt; spin; max resid(k); each band:
  1.15E-14 7.96E-14 6.90E-14 9.10E-14 9.77E-15 1.41E-14 1.38E-14 3.23E-14
  2.43E-14 1.69E-14 3.84E-14 1.58E-14 2.22E-14 6.61E-14 3.18E-14
   0.0470  0.0370  0.5310    1  1.81788E-09 kpt; spin; max resid(k); each band:
  3.93E-14 7.14E-15 6.20E-14 3.80E-14 4.15E-14 1.55E-14 2.23E-14 8.97E-15
  2.34E-14 1.74E-14 2.63E-14 2.35E-14 3.62E-14 3.27E-14 1.82E-09
   0.0470  0.0370  0.6310    1  2.48307E-13 kpt; spin; max resid(k); each band:
  1.43E-14 5.68E-14 2.11E-14 5.55E-14 5.67E-14 6.62E-14 9.00E-14 5.91E-14
  7.03E-14 7.51E-14 3.54E-14 2.64E-14 9.68E-14 2.20E-14 2.48E-13
   0.0470  0.0370  0.7310    1  2.34705E-06 kpt; spin; max resid(k); each band:
  4.97E-14 4.03E-14 1.31E-14 9.14E-14 2.73E-14 9.22E-15 2.88E-14 3.41E-14
  2.94E-14 4.09E-14 8.02E-15 1.99E-14 9.65E-13 3.62E-11 2.35E-06
   0.0470  0.0370  0.8310    1  1.04787E-08 kpt; spin; max resid(k); each band:
  3.46E-14 1.66E-14 4.16E-14 1.14E-14 9.35E-14 5.68E-14 6.79E-15 8.37E-14
  1.33E-14 6.80E-15 3.68E-14 2.23E-13 3.73E-14 2.09E-13 1.05E-08
   0.0470  0.0370  0.9310    1  9.47169E-14 kpt; spin; max resid(k); each band:
  9.47E-14 2.45E-14 6.23E-14 2.05E-14 2.07E-14 9.28E-14 3.86E-14 3.14E-14
  6.57E-14 6.25E-14 3.20E-14 4.01E-15 2.19E-14 2.21E-14 8.85E-14
   0.0470  0.1370  0.0310    1  8.73888E-14 kpt; spin; max resid(k); each band:
  1.70E-14 5.05E-14 8.74E-14 2.80E-14 1.96E-14 4.38E-14 2.46E-14 4.78E-15
  2.19E-14 3.24E-14 3.10E-14 5.76E-15 3.66E-14 3.76E-14 3.89E-14
   0.0470  0.1370  0.1310    1  4.72569E-13 kpt; spin; max resid(k); each band:
  1.61E-14 2.33E-14 2.06E-14 2.57E-14 6.60E-14 2.50E-14 3.46E-14 4.34E-14
  9.40E-14 8.69E-14 8.99E-14 5.11E-14 7.02E-14 2.18E-14 4.73E-13
   0.0470  0.1370  0.2310    1  9.41823E-06 kpt; spin; max resid(k); each band:
  2.02E-14 8.35E-14 6.07E-14 6.12E-14 9.71E-14 4.59E-14 7.26E-14 7.89E-14
  4.63E-14 2.37E-14 1.78E-14 6.71E-14 1.97E-13 2.96E-14 9.42E-06
   0.0470  0.1370  0.3310    1  3.66958E-13 kpt; spin; max resid(k); each band:
  4.00E-14 5.37E-14 2.02E-14 1.41E-14 5.44E-14 2.07E-14 2.72E-14 1.13E-14
  1.67E-14 7.12E-15 2.55E-14 1.86E-14 6.58E-14 9.17E-14 3.67E-13
   0.0470  0.1370  0.4310    1  2.73897E-10 kpt; spin; max resid(k); each band:
  1.42E-14 5.90E-14 4.96E-14 9.05E-15 4.26E-14 2.82E-14 1.12E-14 8.45E-14
  2.51E-14 3.30E-14 3.51E-14 5.88E-14 3.41E-14 6.39E-14 2.74E-10
   0.0470  0.1370  0.5310    1  3.17060E-10 kpt; spin; max resid(k); each band:
  3.32E-14 1.02E-14 8.08E-14 7.09E-14 1.94E-14 1.65E-14 7.26E-14 1.09E-14
  2.01E-14 6.54E-14 5.00E-14 8.00E-14 3.38E-14 2.90E-14 3.17E-10
   0.0470  0.1370  0.6310    1  8.94565E-14 kpt; spin; max resid(k); each band:
  6.20E-15 2.21E-14 1.78E-14 4.90E-14 6.11E-14 8.37E-14 2.06E-14 2.69E-14
  3.07E-14 1.32E-14 4.29E-14 8.95E-14 5.51E-14 1.43E-14 4.50E-14
   0.0470  0.1370  0.7310    1  3.34020E-12 kpt; spin; max resid(k); each band:
  4.48E-14 9.55E-14 1.47E-14 3.62E-14 6.87E-14 5.70E-14 7.11E-14 9.88E-14
  9.36E-15 1.47E-14 2.48E-14 8.80E-14 3.55E-14 8.31E-14 3.34E-12
   0.0470  0.1370  0.8310    1  3.15860E-11 kpt; spin; max resid(k); each band:
  6.58E-14 1.31E-14 5.05E-14 2.96E-14 4.70E-14 5.21E-14 1.77E-14 2.35E-14
  7.20E-14 2.34E-14 1.57E-14 2.95E-13 1.45E-13 2.65E-13 3.16E-11
   0.0470  0.1370  0.9310    1  1.38135E-11 kpt; spin; max resid(k); each band:
  8.95E-14 1.78E-14 3.56E-14 4.14E-14 2.05E-14 6.35E-14 6.77E-14 2.07E-14
  3.76E-14 7.89E-14 8.46E-14 1.21E-13 1.20E-13 2.13E-12 1.38E-11
   0.0470  0.2370  0.0310    1  8.74438E-06 kpt; spin; max resid(k); each band:
  5.04E-15 8.63E-14 4.81E-14 2.22E-14 4.06E-14 2.49E-14 6.91E-14 3.83E-14
  6.87E-14 5.08E-15 1.77E-14 5.22E-14 6.60E-13 1.26E-12 8.74E-06
   0.0470  0.2370  0.1310    1  4.78285E-07 kpt; spin; max resid(k); each band:
  7.54E-15 8.62E-15 2.76E-14 6.03E-14 4.11E-14 3.94E-14 2.44E-14 1.32E-14
  7.06E-14 5.79E-14 3.14E-14 4.02E-14 1.75E-13 3.43E-14 4.78E-07
   0.0470  0.2370  0.2310    1  9.62063E-06 kpt; spin; max resid(k); each band:
  4.52E-14 2.07E-14 1.99E-14 1.83E-14 2.92E-14 1.53E-14 4.67E-14 1.61E-14
  1.56E-14 1.18E-14 8.42E-14 3.00E-14 4.17E-14 3.72E-14 9.62E-06
   0.0470  0.2370  0.3310    1  2.35576E-12 kpt; spin; max resid(k); each band:
  1.33E-14 7.35E-14 8.72E-14 9.96E-15 4.92E-14 3.21E-14 8.73E-14 6.61E-14
  3.17E-14 1.91E-14 2.34E-14 5.24E-14 2.11E-14 1.82E-14 2.36E-12
   0.0470  0.2370  0.4310    1  1.67415E-13 kpt; spin; max resid(k); each band:
  6.72E-15 1.20E-14 5.69E-14 1.66E-14 2.30E-14 5.21E-14 5.55E-14 3.96E-14
  2.34E-14 8.15E-14 6.61E-14 3.92E-14 6.56E-14 9.77E-14 1.67E-13
   0.0470  0.2370  0.5310    1  5.71473E-10 kpt; spin; max resid(k); each band:
  8.19E-15 1.66E-14 1.40E-14 9.99E-14 2.00E-14 4.39E-14 4.45E-14 9.22E-14
  3.83E-14 5.75E-14 5.66E-14 3.35E-14 8.48E-14 4.08E-13 5.71E-10
   0.0470  0.2370  0.6310    1  8.62810E-13 kpt; spin; max resid(k); each band:
  6.44E-14 2.50E-14 1.45E-14 8.40E-15 1.93E-14 7.25E-14 4.84E-14 6.57E-14
  1.13E-14 1.12E-14 5.31E-14 7.05E-14 5.04E-14 8.66E-14 8.63E-13
   0.0470  0.2370  0.7310    1  1.40249E-08 kpt; spin; max resid(k); each band:
  2.46E-14 5.69E-14 4.42E-14 1.10E-14 2.71E-14 3.79E-14 4.69E-14 7.74E-14
  3.81E-14 9.13E-14 6.54E-14 3.76E-14 2.07E-14 2.15E-11 1.40E-08
   0.0470  0.2370  0.8310    1  2.18188E-11 kpt; spin; max resid(k); each band:
  1.97E-14 1.39E-14 3.28E-14 2.85E-14 7.65E-14 7.92E-14 5.47E-14 1.78E-14
  5.74E-15 2.60E-14 5.80E-14 1.62E-14 6.46E-14 4.70E-14 2.18E-11
   0.0470  0.2370  0.9310    1  2.33546E-12 kpt; spin; max resid(k); each band:
  3.35E-14 7.46E-14 8.24E-14 5.23E-14 1.25E-14 9.00E-14 5.43E-14 2.00E-14
  3.06E-14 3.44E-14 1.13E-14 1.64E-14 4.03E-14 6.96E-14 2.34E-12
   0.0470  0.3370  0.0310    1  3.71076E-07 kpt; spin; max resid(k); each band:
  3.84E-14 2.86E-14 1.26E-14 1.84E-14 7.09E-14 3.98E-14 5.66E-14 1.33E-14
  2.37E-14 1.82E-14 7.47E-14 1.30E-13 3.17E-12 2.30E-11 3.71E-07
   0.0470  0.3370  0.1310    1  1.11003E-09 kpt; spin; max resid(k); each band:
  7.72E-15 4.44E-14 5.26E-14 8.00E-14 1.21E-14 1.85E-14 3.96E-14 1.08E-14
  6.91E-15 8.33E-15 1.10E-14 1.12E-13 2.82E-12 2.32E-11 1.11E-09
   0.0470  0.3370  0.2310    1  1.08813E-13 kpt; spin; max resid(k); each band:
  5.56E-15 6.40E-14 2.19E-14 1.57E-14 8.88E-14 7.17E-14 5.03E-14 8.93E-14
  1.24E-14 2.84E-14 2.83E-14 3.70E-14 3.36E-14 8.96E-14 1.09E-13
   0.0470  0.3370  0.3310    1  4.53650E-07 kpt; spin; max resid(k); each band:
  7.08E-15 5.84E-14 8.87E-14 6.55E-14 6.65E-14 7.69E-14 8.47E-14 6.13E-14
  1.50E-14 3.00E-14 6.00E-14 5.47E-14 6.19E-14 5.81E-14 4.54E-07
   0.0470  0.3370  0.4310    1  5.05965E-11 kpt; spin; max resid(k); each band:
  4.09E-15 3.96E-14 1.25E-14 8.57E-14 5.95E-14 2.40E-14 6.73E-14 1.95E-14
  1.83E-14 1.10E-14 7.58E-14 3.93E-14 3.12E-14 2.60E-14 5.06E-11
   0.0470  0.3370  0.5310    1  1.03093E-09 kpt; spin; max resid(k); each band:
  7.20E-15 4.00E-14 3.86E-14 9.11E-14 2.13E-14 4.80E-14 2.97E-14 2.47E-14
  9.83E-15 2.68E-14 2.71E-14 8.90E-14 2.12E-14 8.33E-14 1.03E-09
   0.0470  0.3370  0.6310    1  1.96487E-09 kpt; spin; max resid(k); each band:
  4.36E-14 8.43E-14 2.46E-14 6.97E-14 7.22E-15 1.69E-14 5.48E-14 1.36E-14
  9.13E-15 7.79E-14 4.86E-14 3.86E-14 5.42E-13 1.13E-12 1.96E-09
   0.0470  0.3370  0.7310    1  1.58483E-06 kpt; spin; max resid(k); each band:
  3.16E-14 4.82E-14 2.13E-14 2.93E-14 6.17E-14 9.04E-14 3.15E-14 3.09E-14
  7.89E-14 8.01E-14 7.44E-14 2.67E-12 7.31E-11 4.70E-09 1.58E-06
   0.0470  0.3370  0.8310    1  5.66943E-10 kpt; spin; max resid(k); each band:
  1.01E-14 4.82E-14 5.12E-14 1.20E-14 8.41E-14 1.06E-14 1.48E-14 1.26E-14
  6.79E-14 6.14E-14 8.32E-14 3.70E-14 4.30E-14 5.90E-13 5.67E-10
   0.0470  0.3370  0.9310    1  1.57061E-12 kpt; spin; max resid(k); each band:
  1.55E-14 2.17E-14 1.17E-14 2.26E-14 1.43E-14 2.59E-14 5.79E-14 5.86E-14
  2.88E-14 1.26E-14 4.47E-14 4.22E-14 6.33E-14 1.28E-13 1.57E-12
   0.0470  0.4370  0.0310    1  8.03511E-12 kpt; spin; max resid(k); each band:
  8.83E-14 1.98E-14 2.09E-14 3.41E-14 1.00E-14 3.36E-14 3.83E-14 3.22E-14
  5.89E-15 3.24E-14 8.03E-15 2.76E-13 1.93E-14 2.04E-14 8.04E-12
   0.0470  0.4370  0.1310    1  1.45977E-07 kpt; spin; max resid(k); each band:
  3.36E-14 2.12E-14 5.76E-14 1.76E-14 2.89E-14 9.17E-14 2.53E-14 2.62E-14
  7.43E-14 8.38E-14 5.38E-14 3.09E-14 1.63E-13 3.67E-13 1.46E-07
   0.0470  0.4370  0.2310    1  5.62908E-13 kpt; spin; max resid(k); each band:
  4.20E-14 6.30E-15 3.58E-14 1.37E-14 6.58E-14 1.01E-14 1.56E-14 3.36E-14
  2.19E-14 1.85E-14 3.42E-14 2.63E-14 9.80E-14 7.03E-14 5.63E-13
   0.0470  0.4370  0.3310    1  1.37684E-10 kpt; spin; max resid(k); each band:
  3.38E-14 2.80E-14 2.69E-14 1.32E-14 5.68E-14 6.72E-14 7.92E-14 2.00E-14
  4.40E-14 1.30E-14 1.24E-14 2.38E-14 1.63E-14 8.71E-14 1.38E-10
   0.0470  0.4370  0.4310    1  2.22235E-12 kpt; spin; max resid(k); each band:
  6.30E-15 9.21E-15 2.71E-14 4.91E-14 6.44E-14 2.13E-14 7.60E-14 8.79E-15
  1.92E-14 2.85E-14 5.44E-14 1.09E-14 6.52E-14 4.75E-14 2.22E-12
   0.0470  0.4370  0.5310    1  3.23287E-12 kpt; spin; max resid(k); each band:
  6.60E-14 1.05E-14 9.81E-14 3.90E-14 4.02E-14 2.09E-14 1.57E-14 4.06E-14
  1.83E-14 3.98E-14 1.76E-14 4.65E-14 6.91E-14 8.32E-14 3.23E-12
   0.0470  0.4370  0.6310    1  4.93387E-09 kpt; spin; max resid(k); each band:
  1.69E-14 2.34E-14 6.01E-14 6.32E-14 3.48E-14 5.49E-14 1.99E-14 2.86E-14
  5.09E-14 5.85E-14 7.69E-14 9.80E-14 9.82E-14 4.30E-11 4.93E-09
   0.0470  0.4370  0.7310    1  4.17684E-08 kpt; spin; max resid(k); each band:
  1.39E-14 2.95E-14 1.07E-14 8.51E-15 1.93E-14 5.87E-14 6.52E-14 6.19E-14
  5.07E-14 3.35E-14 5.03E-14 6.84E-14 3.28E-14 7.17E-10 4.18E-08
   0.0470  0.4370  0.8310    1  1.29495E-13 kpt; spin; max resid(k); each band:
  1.12E-14 6.02E-14 3.78E-14 5.01E-14 3.43E-14 3.51E-14 2.12E-14 4.02E-14
  4.41E-14 3.42E-14 2.54E-14 8.72E-14 7.22E-14 2.25E-14 1.29E-13
   0.0470  0.4370  0.9310    1  1.10862E-12 kpt; spin; max resid(k); each band:
  3.83E-14 3.40E-14 1.09E-14 1.12E-14 3.39E-14 4.62E-14 5.61E-14 9.19E-15
  2.71E-14 8.28E-15 3.60E-14 2.92E-14 1.53E-14 3.70E-14 1.11E-12
 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= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.0310 (reduced coord)
  -0.20979   0.22051   0.22652   0.22839   0.32364   0.32497   0.32611   0.34954
   0.51057   0.51332   0.51363   0.63625   0.64201   0.64566   0.78752
 kpt#   2, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.1310 (reduced coord)
  -0.20468   0.18297   0.21099   0.22500   0.32529   0.33026   0.33816   0.38483
   0.49056   0.50774   0.53434   0.62649   0.65796   0.68255   0.82047
 kpt#   3, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.2310 (reduced coord)
  -0.19019   0.11583   0.19517   0.21255   0.31232   0.34687   0.35880   0.44198
   0.47678   0.50497   0.56140   0.62769   0.71824   0.74872   0.87995
 kpt#   4, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.3310 (reduced coord)
  -0.16731   0.05085   0.18376   0.19910   0.29913   0.35504   0.36339   0.48554
   0.49848   0.53960   0.55220   0.69610   0.76070   0.79395   0.83631
 kpt#   5, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.4310 (reduced coord)
  -0.13976  -0.00280   0.17807   0.18898   0.29058   0.35327   0.35669   0.51142
   0.54474   0.56585   0.60692   0.68532   0.72478   0.73985   0.84297
 kpt#   6, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.5310 (reduced coord)
  -0.12387  -0.02716   0.17807   0.18377   0.28782   0.35011   0.35473   0.51023
   0.59418   0.61072   0.63913   0.64885   0.66019   0.69952   0.92597
 kpt#   7, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.6310 (reduced coord)
  -0.14136  -0.00012   0.18200   0.18550   0.29106   0.35045   0.36031   0.50795
   0.54081   0.57274   0.59683   0.69669   0.71433   0.75009   0.83991
 kpt#   8, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.7310 (reduced coord)
  -0.16888   0.05450   0.18844   0.19532   0.29999   0.35213   0.36686   0.47322
   0.51603   0.52747   0.55158   0.69216   0.76352   0.79130   0.84348
 kpt#   9, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.8310 (reduced coord)
  -0.19131   0.11995   0.19981   0.20909   0.31309   0.34329   0.36160   0.43636
   0.48040   0.50304   0.56103   0.62522   0.71661   0.74121   0.87841
 kpt#  10, nband= 15, wtk=  0.00100, kpt=  0.0470  0.0370  0.9310 (reduced coord)
  -0.20526   0.18729   0.21470   0.22168   0.32100   0.33152   0.34161   0.37996
   0.48958   0.51132   0.53220   0.62796   0.65819   0.67521   0.81767
 kpt#  11, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.0310 (reduced coord)
  -0.20391   0.17809   0.21050   0.22363   0.32386   0.33115   0.34090   0.38898
   0.48862   0.50709   0.53712   0.62434   0.66266   0.68616   0.82482
 kpt#  12, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.1310 (reduced coord)
  -0.20201   0.17839   0.20432   0.20904   0.30969   0.34879   0.35690   0.38774
   0.47328   0.52025   0.54474   0.63971   0.65854   0.68215   0.83992
 kpt#  13, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.2310 (reduced coord)
  -0.19061   0.13369   0.17806   0.20142   0.31008   0.35650   0.37925   0.40668
   0.47664   0.52547   0.57905   0.64077   0.68309   0.73592   0.89155
 kpt#  14, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.3310 (reduced coord)
  -0.17038   0.07189   0.16203   0.18802   0.31701   0.35526   0.39129   0.41507
   0.51395   0.55946   0.58328   0.67654   0.73843   0.79780   0.81417
 kpt#  15, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.4310 (reduced coord)
  -0.14359   0.01519   0.15209   0.17665   0.31349   0.35141   0.38663   0.45430
   0.55435   0.57556   0.62243   0.67972   0.72700   0.78734   0.84754
 kpt#  16, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.5310 (reduced coord)
  -0.12035  -0.02185   0.14569   0.17328   0.31146   0.34701   0.37982   0.50992
   0.55002   0.59913   0.64276   0.65877   0.69678   0.75702   0.89800
 kpt#  17, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.6310 (reduced coord)
  -0.12762  -0.01112   0.14309   0.17874   0.31444   0.34782   0.37828   0.50427
   0.54734   0.57256   0.63276   0.68020   0.71682   0.76735   0.85499
 kpt#  18, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.7310 (reduced coord)
  -0.15467   0.03634   0.14638   0.19071   0.32185   0.35165   0.38120   0.45264
   0.50826   0.57525   0.61161   0.68777   0.74141   0.79955   0.82184
 kpt#  19, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.8310 (reduced coord)
  -0.17936   0.09584   0.15785   0.20559   0.33002   0.34696   0.37745   0.42396
   0.47572   0.54895   0.58971   0.65012   0.71573   0.79379   0.82260
 kpt#  20, nband= 15, wtk=  0.00100, kpt=  0.0470  0.1370  0.9310 (reduced coord)
  -0.19623   0.14972   0.18475   0.21623   0.32225   0.34254   0.35816   0.41276
   0.47070   0.51508   0.56314   0.63440   0.66820   0.72546   0.86620
 kpt#  21, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.0310 (reduced coord)
  -0.18870   0.11042   0.19517   0.21070   0.31080   0.34761   0.36047   0.44568
   0.47841   0.50532   0.56076   0.63140   0.72460   0.75327   0.88142
 kpt#  22, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.1310 (reduced coord)
  -0.18987   0.12948   0.17776   0.20238   0.31295   0.35347   0.37849   0.40941
   0.47801   0.52475   0.57952   0.63872   0.68776   0.74159   0.88631
 kpt#  23, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.2310 (reduced coord)
  -0.18157   0.12085   0.17067   0.17234   0.28248   0.36502   0.40896   0.41284
   0.49426   0.54530   0.60860   0.67395   0.69179   0.72504   0.88311
 kpt#  24, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.3310 (reduced coord)
  -0.16420   0.08062   0.14586   0.16278   0.28511   0.34853   0.41685   0.43998
   0.53707   0.57263   0.63758   0.68595   0.72314   0.77498   0.80893
 kpt#  25, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.4310 (reduced coord)
  -0.13918   0.03118   0.12384   0.15340   0.29451   0.37048   0.40606   0.44352
   0.58667   0.61977   0.63625   0.68454   0.72816   0.77483   0.82896
 kpt#  26, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.5310 (reduced coord)
  -0.11235  -0.01062   0.10624   0.15278   0.29789   0.39324   0.42803   0.43606
   0.57130   0.61805   0.65644   0.68074   0.71038   0.84336   0.87302
 kpt#  27, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.6310 (reduced coord)
  -0.10787  -0.01652   0.09606   0.16077   0.30684   0.38516   0.42895   0.49663
   0.50658   0.55797   0.65962   0.73179   0.78116   0.78856   0.84512
 kpt#  28, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.7310 (reduced coord)
  -0.13248   0.01960   0.09678   0.17535   0.32244   0.37902   0.42257   0.44405
   0.49960   0.57422   0.66996   0.70842   0.74348   0.80883   0.84614
 kpt#  29, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.8310 (reduced coord)
  -0.15873   0.06096   0.11772   0.19260   0.33862   0.35891   0.40315   0.41788
   0.47443   0.61597   0.62434   0.66676   0.72898   0.77601   0.84132
 kpt#  30, nband= 15, wtk=  0.00100, kpt=  0.0470  0.2370  0.9310 (reduced coord)
  -0.17812   0.08790   0.16588   0.20363   0.32343   0.34770   0.37613   0.43125
   0.48308   0.54503   0.57919   0.65648   0.72814   0.79416   0.82553
 kpt#  31, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.0310 (reduced coord)
  -0.16524   0.04600   0.18420   0.19748   0.29789   0.35449   0.36362   0.48658
   0.50592   0.53986   0.55314   0.70201   0.75904   0.79049   0.83858
 kpt#  32, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.1310 (reduced coord)
  -0.16898   0.06704   0.16273   0.18867   0.31756   0.35320   0.38876   0.42093
   0.51482   0.56186   0.57933   0.68090   0.74127   0.79906   0.81420
 kpt#  33, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.2310 (reduced coord)
  -0.16351   0.07804   0.14483   0.16345   0.28810   0.35156   0.41266   0.43791
   0.53850   0.57502   0.63452   0.68598   0.72537   0.77897   0.80545
 kpt#  34, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.3310 (reduced coord)
  -0.14898   0.05807   0.14205   0.14562   0.26096   0.31318   0.47185   0.47536
   0.56787   0.58545   0.67800   0.72197   0.72438   0.76667   0.81545
 kpt#  35, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.4310 (reduced coord)
  -0.12626   0.02336   0.12198   0.13554   0.26826   0.30517   0.47565   0.50606
   0.60425   0.63897   0.65860   0.70381   0.74816   0.76743   0.81445
 kpt#  36, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.5310 (reduced coord)
  -0.09861  -0.01141   0.09149   0.13459   0.27628   0.34593   0.46364   0.50556
   0.58445   0.63362   0.66880   0.71578   0.74771   0.80305   0.84537
 kpt#  37, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.6310 (reduced coord)
  -0.08439  -0.02664   0.07101   0.14231   0.28548   0.41218   0.45233   0.49412
   0.51102   0.56209   0.73881   0.74158   0.79039   0.82167   0.84351
 kpt#  38, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.7310 (reduced coord)
  -0.10540  -0.00531   0.07207   0.15717   0.30239   0.42180   0.45658   0.46744
   0.49977   0.51501   0.72394   0.75218   0.78458   0.81028   0.85091
 kpt#  39, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.8310 (reduced coord)
  -0.13181   0.01367   0.10464   0.17580   0.32255   0.37059   0.41341   0.45534
   0.51099   0.57225   0.65693   0.70426   0.75844   0.79534   0.83996
 kpt#  40, nband= 15, wtk=  0.00100, kpt=  0.0470  0.3370  0.9310 (reduced coord)
  -0.15256   0.02806   0.15635   0.18958   0.31422   0.35066   0.37551   0.46546
   0.52080   0.56525   0.60521   0.69309   0.74328   0.78884   0.83272
 kpt#  41, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.0310 (reduced coord)
  -0.13771  -0.00626   0.17882   0.18793   0.28975   0.35221   0.35691   0.51112
   0.54934   0.57204   0.61028   0.68103   0.71554   0.73743   0.84881
 kpt#  42, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.1310 (reduced coord)
  -0.14191   0.01105   0.15357   0.17755   0.31281   0.34974   0.38336   0.46273
   0.55259   0.57577   0.62546   0.67574   0.72448   0.78819   0.84400
 kpt#  43, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.2310 (reduced coord)
  -0.13801   0.02772   0.12386   0.15439   0.29628   0.37785   0.40136   0.43939
   0.58867   0.61489   0.63998   0.68017   0.72521   0.77857   0.83476
 kpt#  44, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.3310 (reduced coord)
  -0.12569   0.02244   0.11949   0.13606   0.27060   0.30937   0.47081   0.50320
   0.60614   0.64329   0.65345   0.69976   0.75288   0.76254   0.81775
 kpt#  45, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.4310 (reduced coord)
  -0.10525  -0.00492   0.12479   0.12968   0.25145   0.27532   0.53862   0.54148
   0.63867   0.64261   0.67079   0.67569   0.73585   0.76627   0.82497
 kpt#  46, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.5310 (reduced coord)
  -0.07834  -0.03490   0.10989   0.12314   0.26243   0.28131   0.53894   0.57086
   0.60165   0.63644   0.67446   0.71158   0.72842   0.76607   0.84478
 kpt#  47, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.6310 (reduced coord)
  -0.06628  -0.04422   0.08140   0.12951   0.27069   0.33917   0.51061   0.52955
   0.55825   0.58498   0.72149   0.75518   0.77405   0.80727   0.82425
 kpt#  48, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.7310 (reduced coord)
  -0.08877  -0.02426   0.07584   0.14353   0.28700   0.41297   0.44105   0.48333
   0.52266   0.57538   0.71905   0.72737   0.77534   0.84220   0.86068
 kpt#  49, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.8310 (reduced coord)
  -0.10948  -0.01958   0.10603   0.16266   0.30890   0.37480   0.41751   0.50088
   0.51771   0.57044   0.64745   0.71297   0.76583   0.78031   0.86793
 kpt#  50, nband= 15, wtk=  0.00100, kpt=  0.0470  0.4370  0.9310 (reduced coord)
  -0.12638  -0.01653   0.15338   0.17969   0.30820   0.34690   0.37085   0.51312
   0.54897   0.58519   0.63303   0.67188   0.69957   0.75091   0.87220
 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  =  3.05586427491729E+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=  1.78613943628553E+00
    >>>>>>>>> Etotal= -7.94044262955442E+00
 
 "Double-counting" decomposition of free energy:
    Band energy     =  3.43057437540770E-01
    Ewald energy    = -8.39948239058486E+00
    PspCore energy  = -6.50884021995559E-02
    Dble-C XC-energy=  1.81113473819619E-01
    >>>> Etotal (DC)= -7.94039988142403E+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  3.10000000E-02
                       4.70000000E-02  3.70000000E-02  1.31000000E-01
                       4.70000000E-02  3.70000000E-02  2.31000000E-01
                       4.70000000E-02  3.70000000E-02  3.31000000E-01
                       4.70000000E-02  3.70000000E-02  4.31000000E-01
                       4.70000000E-02  3.70000000E-02  5.31000000E-01
                       4.70000000E-02  3.70000000E-02  6.31000000E-01
                       4.70000000E-02  3.70000000E-02  7.31000000E-01
                       4.70000000E-02  3.70000000E-02  8.31000000E-01
                       4.70000000E-02  3.70000000E-02  9.31000000E-01
                       4.70000000E-02  1.37000000E-01  3.10000000E-02
                       4.70000000E-02  1.37000000E-01  1.31000000E-01
                       4.70000000E-02  1.37000000E-01  2.31000000E-01
                       4.70000000E-02  1.37000000E-01  3.31000000E-01
                       4.70000000E-02  1.37000000E-01  4.31000000E-01
                       4.70000000E-02  1.37000000E-01  5.31000000E-01
                       4.70000000E-02  1.37000000E-01  6.31000000E-01
                       4.70000000E-02  1.37000000E-01  7.31000000E-01
                       4.70000000E-02  1.37000000E-01  8.31000000E-01
                       4.70000000E-02  1.37000000E-01  9.31000000E-01
                       4.70000000E-02  2.37000000E-01  3.10000000E-02
                       4.70000000E-02  2.37000000E-01  1.31000000E-01
                       4.70000000E-02  2.37000000E-01  2.31000000E-01
                       4.70000000E-02  2.37000000E-01  3.31000000E-01
                       4.70000000E-02  2.37000000E-01  4.31000000E-01
                       4.70000000E-02  2.37000000E-01  5.31000000E-01
                       4.70000000E-02  2.37000000E-01  6.31000000E-01
                       4.70000000E-02  2.37000000E-01  7.31000000E-01
                       4.70000000E-02  2.37000000E-01  8.31000000E-01
                       4.70000000E-02  2.37000000E-01  9.31000000E-01
                       4.70000000E-02  3.37000000E-01  3.10000000E-02
                       4.70000000E-02  3.37000000E-01  1.31000000E-01
                       4.70000000E-02  3.37000000E-01  2.31000000E-01
                       4.70000000E-02  3.37000000E-01  3.31000000E-01
                       4.70000000E-02  3.37000000E-01  4.31000000E-01
                       4.70000000E-02  3.37000000E-01  5.31000000E-01
                       4.70000000E-02  3.37000000E-01  6.31000000E-01
                       4.70000000E-02  3.37000000E-01  7.31000000E-01
                       4.70000000E-02  3.37000000E-01  8.31000000E-01
                       4.70000000E-02  3.37000000E-01  9.31000000E-01
                       4.70000000E-02  4.37000000E-01  3.10000000E-02
                       4.70000000E-02  4.37000000E-01  1.31000000E-01
                       4.70000000E-02  4.37000000E-01  2.31000000E-01
                       4.70000000E-02  4.37000000E-01  3.31000000E-01
                       4.70000000E-02  4.37000000E-01  4.31000000E-01
                       4.70000000E-02  4.37000000E-01  5.31000000E-01
                       4.70000000E-02  4.37000000E-01  6.31000000E-01
                       4.70000000E-02  4.37000000E-01  7.31000000E-01
                       4.70000000E-02  4.37000000E-01  8.31000000E-01
                       4.70000000E-02  4.37000000E-01  9.31000000E-01
                       outvar_i_n : Printing only first  50 k-points.
           kptopt           0
P           mkmem        1000
            natom           2
            nband          15
           nbdbuf           4
            ngfft          30      30      30
             nkpt        1000
            nline           6
             nsym          48
           ntypat           1
              occ      2.000000  2.000000  2.000000  2.000000  0.000000  0.000000
                       0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
                       0.000000  0.000000  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=        288.0  wall=        288.4
 
================================================================================
 
 Calculation completed.
.Delivered    0 WARNINGs and   0 COMMENTs to log file.
+Overall time at end (sec) : cpu=        288.0  wall=        288.4
