 running on    4 total cores
 distrk:  each k-point on    4 cores,    1 groups
 distr:  one band on    1 cores,    4 groups
 using from now: INCAR     
 vasp.5.3.5 31Mar14 (build Jul 17 2014 13:01:49) gamma-only                     
  
 POSCAR found type information on POSCAR  Mo Nb Ta W 
 POSCAR found :  4 types and      16 ions
 LDA part: xc-table for Pade appr. of Perdew

 ----------------------------------------------------------------------------- 
|                                                                             |
|           W    W    AA    RRRRR   N    N  II  N    N   GGGG   !!!           |
|           W    W   A  A   R    R  NN   N  II  NN   N  G    G  !!!           |
|           W    W  A    A  R    R  N N  N  II  N N  N  G       !!!           |
|           W WW W  AAAAAA  RRRRR   N  N N  II  N  N N  G  GGG   !            |
|           WW  WW  A    A  R   R   N   NN  II  N   NN  G    G                |
|           W    W  A    A  R    R  N    N  II  N    N   GGGG   !!!           |
|                                                                             |
|      VASP found     45 degrees of freedom                                   |
|      the temperature will equal 2*E(kin)/ (degrees of freedom)              |
|      this differs from previous releases, where T was 2*E(kin)/(3 NIONS).   |
|      The new definition is more consistent                                  |
|                                                                             |
 ----------------------------------------------------------------------------- 

 found WAVECAR, reading the header
 POSCAR, INCAR and KPOINTS ok, starting setup
 WARNING: small aliasing (wrap around) errors must be expected
 FFT: planning ...
 reading WAVECAR
 VASP.5.3 WAVECAR encountered
 the WAVECAR file was read successfully
 initial charge from wavefunction
 prediction of wavefunctions initialized - no I/O
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175074703878E+03   -0.17507E+03   -0.84049E-03  1128   0.771E-02    0.271E-01
RMM:   2    -0.175075825425E+03   -0.11215E-02   -0.24443E-04   976   0.147E-02    0.317E-01
RMM:   3    -0.175072761849E+03    0.30636E-02   -0.34468E-05   898   0.513E-03    0.569E-02
RMM:   4    -0.175072719017E+03    0.42833E-04   -0.31342E-06   664   0.211E-03
    1 T=  1000. E= -.17313381E+03 F= -.17507272E+03 E0= -.17507812E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175080376357E+03   -0.76145E-02   -0.46141E-01  1280   0.112E+00    0.402E-01
RMM:   2    -0.175084589953E+03   -0.42136E-02   -0.59041E-02   976   0.166E-01    0.296E-01
RMM:   3    -0.175082824922E+03    0.17650E-02   -0.15291E-03   976   0.514E-02    0.187E-01
RMM:   4    -0.175082625806E+03    0.19912E-03   -0.88960E-05   953   0.854E-03    0.109E-01
RMM:   5    -0.175082491347E+03    0.13446E-03   -0.15909E-05   731   0.357E-03    0.584E-02
RMM:   6    -0.175082491579E+03   -0.23191E-06   -0.59200E-06   681   0.224E-03
    2 T=  1000. E= -.17314358E+03 F= -.17508249E+03 E0= -.17508979E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175101215624E+03   -0.18724E-01   -0.79407E-04  1688   0.956E-01    0.812E-02
RMM:   2    -0.175101756591E+03   -0.54097E-03   -0.62914E-03   976   0.506E-02    0.713E-02
RMM:   3    -0.175101672518E+03    0.84072E-04   -0.14993E-04   942   0.163E-02
    3 T=  1000. E= -.17316276E+03 F= -.17510167E+03 E0= -.17510877E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175130423811E+03   -0.28667E-01    0.10034E-04  1664   0.946E-01    0.632E-02
RMM:   2    -0.175130592616E+03   -0.16880E-03   -0.18355E-03   976   0.259E-02    0.648E-02
RMM:   3    -0.175130513227E+03    0.79389E-04   -0.43876E-05   755   0.874E-03
    4 T=  1000. E= -.17319160E+03 F= -.17513051E+03 E0= -.17513732E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175168580170E+03   -0.37988E-01    0.19514E-04  1592   0.941E-01    0.600E-02
RMM:   2    -0.175168710673E+03   -0.13050E-03   -0.14734E-03   976   0.235E-02    0.722E-02
RMM:   3    -0.175168597693E+03    0.11298E-03   -0.37583E-05   761   0.816E-03    0.314E-02
RMM:   4    -0.175168595598E+03    0.20942E-05   -0.15392E-06   636   0.121E-03
    5 T=  1000. E= -.17322968E+03 F= -.17516860E+03 E0= -.17517510E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175214844689E+03   -0.46247E-01    0.26115E-05  1496   0.941E-01    0.469E-02
RMM:   2    -0.175214988904E+03   -0.14421E-03   -0.18704E-03   976   0.248E-02    0.424E-02
RMM:   3    -0.175214948204E+03    0.40699E-04   -0.36855E-05   733   0.782E-03
    6 T=  1000. E= -.17327604E+03 F= -.17521495E+03 E0= -.17522119E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175268205347E+03   -0.53216E-01    0.14196E-04  1520   0.944E-01    0.217E-02
RMM:   2    -0.175268267314E+03   -0.61967E-04   -0.11627E-03   975   0.202E-02    0.246E-02
RMM:   3    -0.175268255667E+03    0.11647E-04   -0.28981E-05   724   0.694E-03
    7 T=  1000. E= -.17332934E+03 F= -.17526826E+03 E0= -.17527443E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175326658632E+03   -0.58391E-01    0.14393E-05  1520   0.952E-01    0.225E-02
RMM:   2    -0.175326819740E+03   -0.16111E-03   -0.21544E-03   976   0.266E-02    0.254E-02
RMM:   3    -0.175326810977E+03    0.87628E-05   -0.42845E-05   755   0.840E-03
    8 T=  1000. E= -.17338790E+03 F= -.17532681E+03 E0= -.17533306E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175388655626E+03   -0.61836E-01    0.48538E-05  1584   0.963E-01    0.233E-02
RMM:   2    -0.175388756243E+03   -0.10062E-03   -0.15418E-03   976   0.228E-02    0.223E-02
RMM:   3    -0.175388752732E+03    0.35114E-05   -0.36101E-05   740   0.780E-03
    9 T=  1000. E= -.17344984E+03 F= -.17538875E+03 E0= -.17539523E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8963
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175452022694E+03   -0.63266E-01    0.11760E-06  1600   0.975E-01    0.208E-02
RMM:   2    -0.175452127642E+03   -0.10495E-03   -0.16024E-03   976   0.236E-02    0.135E-02
RMM:   3    -0.175452127658E+03   -0.15659E-07   -0.32851E-05   735   0.766E-03
   10 T=  1000. E= -.17351322E+03 F= -.17545213E+03 E0= -.17545890E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175514892204E+03   -0.62765E-01   -0.53492E-05  1616   0.988E-01    0.317E-02
RMM:   2    -0.175515021952E+03   -0.12975E-03   -0.18305E-03   976   0.253E-02    0.220E-02
RMM:   3    -0.175515020319E+03    0.16323E-05   -0.38136E-05   745   0.835E-03
   11 T=  1000. E= -.17357611E+03 F= -.17551502E+03 E0= -.17552208E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175575388082E+03   -0.60366E-01   -0.18673E-04  1632   0.100E+00    0.194E-02
RMM:   2    -0.175575606832E+03   -0.21875E-03   -0.26931E-03   976   0.302E-02    0.156E-02
RMM:   3    -0.175575603357E+03    0.34748E-05   -0.52806E-05   758   0.948E-03
   12 T=  1000. E= -.17363669E+03 F= -.17557560E+03 E0= -.17558283E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175631811645E+03   -0.56205E-01   -0.73361E-04  1640   0.101E+00    0.361E-02
RMM:   2    -0.175632074034E+03   -0.26239E-03   -0.32340E-03   976   0.325E-02    0.316E-02
RMM:   3    -0.175632060143E+03    0.13891E-04   -0.71610E-05   771   0.106E-02
   13 T=  1000. E= -.17369315E+03 F= -.17563206E+03 E0= -.17563743E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175682430770E+03   -0.50357E-01   -0.18017E-03  1656   0.103E+00    0.337E-02
RMM:   2    -0.175682693378E+03   -0.26261E-03   -0.30648E-03   975   0.321E-02    0.379E-02
RMM:   3    -0.175682658669E+03    0.34709E-04   -0.76715E-05   788   0.108E-02
   14 T=  1000. E= -.17374375E+03 F= -.17568266E+03 E0= -.17568624E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8835
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175726198588E+03   -0.43505E-01   -0.93616E-04  1664   0.104E+00    0.512E-02
RMM:   2    -0.175726526774E+03   -0.32819E-03   -0.38340E-03   976   0.371E-02    0.423E-02
RMM:   3    -0.175726498843E+03    0.27932E-04   -0.89515E-05   820   0.122E-02
   15 T=  1000. E= -.17378759E+03 F= -.17572650E+03 E0= -.17572913E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175762850152E+03   -0.36323E-01   -0.76719E-04  1624   0.104E+00    0.377E-02
RMM:   2    -0.175763097563E+03   -0.24741E-03   -0.28663E-03   976   0.327E-02    0.442E-02
RMM:   3    -0.175763059096E+03    0.38467E-04   -0.73648E-05   797   0.114E-02
   16 T=  1000. E= -.17382415E+03 F= -.17576306E+03 E0= -.17576522E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175791775434E+03   -0.28678E-01   -0.12446E-03  1648   0.105E+00    0.355E-02
RMM:   2    -0.175792173085E+03   -0.39765E-03   -0.44122E-03   976   0.397E-02    0.333E-02
RMM:   3    -0.175792150928E+03    0.22157E-04   -0.98510E-05   812   0.131E-02
   17 T=  1000. E= -.17385324E+03 F= -.17579215E+03 E0= -.17579401E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175813467393E+03   -0.21294E-01   -0.10604E-03  1616   0.105E+00    0.398E-02
RMM:   2    -0.175813932322E+03   -0.46493E-03   -0.34720E-03   976   0.355E-02    0.262E-02
RMM:   3    -0.175813924967E+03    0.73549E-05   -0.84296E-05   809   0.121E-02
   18 T=  1000. E= -.17387501E+03 F= -.17581392E+03 E0= -.17581567E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175828541186E+03   -0.14609E-01   -0.10784E-03  1632   0.105E+00    0.287E-02
RMM:   2    -0.175828922303E+03   -0.38112E-03   -0.42918E-03   976   0.398E-02    0.200E-02
RMM:   3    -0.175828918347E+03    0.39564E-05   -0.92843E-05   827   0.131E-02
   19 T=  1000. E= -.17389001E+03 F= -.17582892E+03 E0= -.17583062E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  485  0.8805
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175837502619E+03   -0.85803E-02   -0.79544E-04  1600   0.105E+00    0.367E-02
RMM:   2    -0.175837825952E+03   -0.32333E-03   -0.36819E-03   976   0.364E-02    0.277E-02
RMM:   3    -0.175837818697E+03    0.72544E-05   -0.76401E-05   813   0.118E-02
   20 T=  1000. E= -.17389891E+03 F= -.17583782E+03 E0= -.17583950E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8935
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175841052223E+03   -0.32263E-02   -0.11701E-03  1632   0.105E+00    0.239E-02
RMM:   2    -0.175841522553E+03   -0.47033E-03   -0.51638E-03   976   0.430E-02    0.220E-02
RMM:   3    -0.175841511854E+03    0.10699E-04   -0.10115E-04   852   0.133E-02
   21 T=  1000. E= -.17390260E+03 F= -.17584151E+03 E0= -.17584319E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175840684065E+03    0.83849E-03   -0.75804E-04  1640   0.105E+00    0.339E-02
RMM:   2    -0.175840970135E+03   -0.28607E-03   -0.33471E-03   976   0.351E-02    0.234E-02
RMM:   3    -0.175840969447E+03    0.68783E-06   -0.82160E-05   803   0.120E-02
   22 T=  1000. E= -.17390206E+03 F= -.17584097E+03 E0= -.17584264E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175836940996E+03    0.40291E-02   -0.63546E-04  1608   0.104E+00    0.275E-02
RMM:   2    -0.175837178431E+03   -0.23744E-03   -0.28593E-03   976   0.324E-02    0.191E-02
RMM:   3    -0.175837177080E+03    0.13514E-05   -0.70008E-05   799   0.112E-02
   23 T=  1000. E= -.17389827E+03 F= -.17583718E+03 E0= -.17583885E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175830772669E+03    0.64058E-02   -0.10856E-03  1616   0.104E+00    0.354E-02
RMM:   2    -0.175831088890E+03   -0.31622E-03   -0.36565E-03   976   0.365E-02    0.258E-02
RMM:   3    -0.175831087451E+03    0.14390E-05   -0.94560E-05   819   0.128E-02
   24 T=  1000. E= -.17389218E+03 F= -.17583109E+03 E0= -.17583277E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175823057446E+03    0.80314E-02   -0.24363E-03  1600   0.104E+00    0.261E-02
RMM:   2    -0.175823583785E+03   -0.52634E-03   -0.57603E-03   976   0.447E-02    0.184E-02
RMM:   3    -0.175822869645E+03    0.71414E-03   -0.14723E-04   859   0.153E-02    0.423E-02
RMM:   4    -0.175822862323E+03    0.73220E-05   -0.28396E-06   650   0.197E-03
   25 T=  1000. E= -.17388395E+03 F= -.17582286E+03 E0= -.17582566E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8299
Information: wavefunction orthogonal band  487  0.8932
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175814604234E+03    0.82654E-02   -0.28187E-03  1552   0.104E+00    0.446E-02
RMM:   2    -0.175815312703E+03   -0.70847E-03   -0.74721E-03   976   0.510E-02    0.331E-02
RMM:   3    -0.175815298187E+03    0.14516E-04   -0.16443E-04   893   0.164E-02
   26 T=  1000. E= -.17387639E+03 F= -.17581530E+03 E0= -.17581698E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8220
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175806165852E+03    0.91469E-02   -0.15047E-03  1608   0.104E+00    0.349E-02
RMM:   2    -0.175806727189E+03   -0.56134E-03   -0.59490E-03   976   0.457E-02    0.277E-02
RMM:   3    -0.175806720685E+03    0.65043E-05   -0.14423E-04   882   0.154E-02
   27 T=  1000. E= -.17386781E+03 F= -.17580672E+03 E0= -.17580841E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175797811853E+03    0.89153E-02   -0.10483E-03  1616   0.104E+00    0.490E-02
RMM:   2    -0.175798126393E+03   -0.31454E-03   -0.36570E-03   976   0.365E-02    0.316E-02
RMM:   3    -0.175798126565E+03   -0.17240E-06   -0.91044E-05   821   0.125E-02
   28 T=  1000. E= -.17385921E+03 F= -.17579813E+03 E0= -.17579982E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175789387580E+03    0.87388E-02   -0.46396E-04  1648   0.104E+00    0.477E-02
RMM:   2    -0.175789585775E+03   -0.19820E-03   -0.24955E-03   976   0.297E-02    0.320E-02
RMM:   3    -0.175789582565E+03    0.32103E-05   -0.59108E-05   786   0.103E-02
   29 T=  1000. E= -.17385067E+03 F= -.17578958E+03 E0= -.17579128E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175780645456E+03    0.89403E-02   -0.70050E-04  1608   0.105E+00    0.272E-02
RMM:   2    -0.175780947891E+03   -0.30243E-03   -0.35434E-03   976   0.345E-02    0.237E-02
RMM:   3    -0.175780942145E+03    0.57457E-05   -0.77470E-05   815   0.115E-02
   30 T=  1000. E= -.17384203E+03 F= -.17578094E+03 E0= -.17578263E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8749
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175771530835E+03    0.94171E-02   -0.86408E-04  1648   0.106E+00    0.306E-02
RMM:   2    -0.175771985301E+03   -0.45447E-03   -0.50846E-03   976   0.413E-02    0.221E-02
RMM:   3    -0.175771978274E+03    0.70267E-05   -0.91790E-05   865   0.126E-02
   31 T=  1000. E= -.17383307E+03 F= -.17577198E+03 E0= -.17577367E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175761892950E+03    0.10092E-01   -0.18754E-03  1664   0.106E+00    0.224E-02
RMM:   2    -0.175762369931E+03   -0.47698E-03   -0.53171E-03   976   0.436E-02    0.164E-02
RMM:   3    -0.175762358988E+03    0.10943E-04   -0.12355E-04   853   0.146E-02
   32 T=  1000. E= -.17382345E+03 F= -.17576236E+03 E0= -.17576404E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175751383235E+03    0.10987E-01   -0.12526E-03  1640   0.107E+00    0.237E-02
RMM:   2    -0.175751787746E+03   -0.40451E-03   -0.45905E-03   976   0.402E-02    0.185E-02
RMM:   3    -0.175751781225E+03    0.65217E-05   -0.11128E-04   838   0.139E-02
   33 T=  1000. E= -.17381287E+03 F= -.17575178E+03 E0= -.17575346E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175739087385E+03    0.12700E-01   -0.12422E-03  1616   0.108E+00    0.431E-02
RMM:   2    -0.175739997513E+03   -0.91013E-03   -0.43895E-03   976   0.400E-02    0.477E-02
RMM:   3    -0.175739946436E+03    0.51077E-04   -0.10278E-04   868   0.135E-02
   34 T=  1000. E= -.17380103E+03 F= -.17573995E+03 E0= -.17574162E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175726052791E+03    0.13945E-01   -0.29392E-03  1656   0.109E+00    0.394E-02
RMM:   2    -0.175726707774E+03   -0.65498E-03   -0.70995E-03   976   0.512E-02    0.374E-02
RMM:   3    -0.175726683644E+03    0.24130E-04   -0.15435E-04   879   0.165E-02
   35 T=  1000. E= -.17378777E+03 F= -.17572668E+03 E0= -.17572836E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175710847295E+03    0.15860E-01   -0.22385E-03  1624   0.109E+00    0.449E-02
RMM:   2    -0.175711828980E+03   -0.98168E-03   -0.60287E-03   976   0.469E-02    0.596E-02
RMM:   3    -0.175711744758E+03    0.84222E-04   -0.14083E-04   891   0.156E-02
   36 T=  1000. E= -.17377283E+03 F= -.17571174E+03 E0= -.17571341E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175694063349E+03    0.17766E-01   -0.48635E-03  1640   0.110E+00    0.446E-02
RMM:   2    -0.175694737047E+03   -0.67370E-03   -0.72284E-03   976   0.500E-02    0.414E-02
RMM:   3    -0.175694685286E+03    0.51760E-04   -0.15616E-04   881   0.160E-02
   37 T=  1000. E= -.17375577E+03 F= -.17569469E+03 E0= -.17569710E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  485  0.8920
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175675559972E+03    0.19177E-01   -0.27193E-03  1656   0.111E+00    0.413E-02
RMM:   2    -0.175676659583E+03   -0.10996E-02   -0.76306E-03   976   0.512E-02    0.538E-02
RMM:   3    -0.175676608096E+03    0.51487E-04   -0.16094E-04   908   0.166E-02
   38 T=  1000. E= -.17373770E+03 F= -.17567661E+03 E0= -.17567827E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175655642974E+03    0.21017E-01   -0.51284E-03  1664   0.111E+00    0.638E-02
RMM:   2    -0.175656547641E+03   -0.90467E-03   -0.91006E-03   976   0.569E-02    0.670E-02
RMM:   3    -0.175656420570E+03    0.12707E-03   -0.21655E-04   920   0.190E-02    0.319E-02
RMM:   4    -0.175656421625E+03   -0.10547E-05   -0.46580E-06   668   0.248E-03
   39 T=  1000. E= -.17371751E+03 F= -.17565642E+03 E0= -.17565809E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8426
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175634136997E+03    0.22284E-01   -0.27135E-03  1544   0.112E+00    0.659E-02
RMM:   2    -0.175634321678E+03   -0.18468E-03   -0.66922E-03   976   0.497E-02    0.667E-02
RMM:   3    -0.175634241358E+03    0.80320E-04   -0.14694E-04   911   0.162E-02
   40 T=  1000. E= -.17369533E+03 F= -.17563424E+03 E0= -.17563673E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8658
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175610406795E+03    0.23915E-01   -0.31808E-03  1616   0.112E+00    0.873E-02
RMM:   2    -0.175611156605E+03   -0.74981E-03   -0.68916E-03   976   0.499E-02    0.937E-02
RMM:   3    -0.175610952818E+03    0.20379E-03   -0.15359E-04   920   0.163E-02    0.284E-02
RMM:   4    -0.175610952914E+03   -0.96298E-07   -0.33673E-06   662   0.215E-03
   41 T=  1000. E= -.17367204E+03 F= -.17561095E+03 E0= -.17561368E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175585892562E+03    0.25060E-01   -0.28655E-03  1536   0.112E+00    0.734E-02
RMM:   2    -0.175586461762E+03   -0.56920E-03   -0.61082E-03   976   0.476E-02    0.525E-02
RMM:   3    -0.175586381864E+03    0.79898E-04   -0.13343E-04   887   0.155E-02
   42 T=  1000. E= -.17364747E+03 F= -.17558638E+03 E0= -.17558935E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175560339188E+03    0.26123E-01   -0.17990E-03  1640   0.111E+00    0.483E-02
RMM:   2    -0.175560746562E+03   -0.40737E-03   -0.45098E-03   976   0.404E-02    0.414E-02
RMM:   3    -0.175560723246E+03    0.23316E-04   -0.11000E-04   849   0.140E-02
   43 T=  1000. E= -.17362181E+03 F= -.17556072E+03 E0= -.17556394E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175533916716E+03    0.26830E-01   -0.17556E-03  1576   0.111E+00    0.364E-02
RMM:   2    -0.175534309451E+03   -0.39273E-03   -0.43745E-03   976   0.396E-02    0.303E-02
RMM:   3    -0.175534280004E+03    0.29447E-04   -0.93778E-05   847   0.128E-02
   44 T=  1000. E= -.17359537E+03 F= -.17553428E+03 E0= -.17553773E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175506887748E+03    0.27422E-01   -0.31253E-03  1640   0.111E+00    0.429E-02
RMM:   2    -0.175507416049E+03   -0.52830E-03   -0.57284E-03   976   0.456E-02    0.289E-02
RMM:   3    -0.175507395057E+03    0.20992E-04   -0.12736E-04   859   0.150E-02
   45 T=  1000. E= -.17356848E+03 F= -.17550740E+03 E0= -.17551099E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175480018125E+03    0.27398E-01   -0.30320E-03  1560   0.110E+00    0.538E-02
RMM:   2    -0.175482560895E+03   -0.25428E-02   -0.46537E-03   976   0.415E-02    0.104E-01
RMM:   3    -0.175482555310E+03    0.55856E-05   -0.11100E-04   867   0.141E-02
   46 T=  1000. E= -.17354364E+03 F= -.17548256E+03 E0= -.17548422E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175455101017E+03    0.27460E-01   -0.27772E-03  1616   0.109E+00    0.175E-01
RMM:   2    -0.175455807095E+03   -0.70608E-03   -0.67497E-03   976   0.499E-02    0.125E-01
RMM:   3    -0.175455563584E+03    0.24351E-03   -0.15401E-04   934   0.164E-02    0.737E-02
RMM:   4    -0.175455541873E+03    0.21711E-04   -0.83855E-06   677   0.292E-03
   47 T=  1000. E= -.17351663E+03 F= -.17545554E+03 E0= -.17545721E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8713
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175428589523E+03    0.26974E-01   -0.22264E-03  1536   0.108E+00    0.267E-01
RMM:   2    -0.175430245370E+03   -0.16558E-02   -0.57169E-03   976   0.453E-02    0.257E-01
RMM:   3    -0.175428935007E+03    0.13104E-02   -0.13111E-04   966   0.144E-02    0.924E-02
RMM:   4    -0.175428898878E+03    0.36129E-04   -0.12194E-05   714   0.319E-03
   48 T=  1000. E= -.17348999E+03 F= -.17542890E+03 E0= -.17543056E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175401158216E+03    0.27777E-01   -0.33599E-03  1552   0.107E+00    0.112E-01
RMM:   2    -0.175402648978E+03   -0.14908E-02   -0.76671E-03   976   0.525E-02    0.771E-02
RMM:   3    -0.175402549178E+03    0.99800E-04   -0.17264E-04   920   0.172E-02
   49 T=  1000. E= -.17346364E+03 F= -.17540255E+03 E0= -.17540421E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175375601984E+03    0.27047E-01   -0.40095E-03  1528   0.106E+00    0.970E-02
RMM:   2    -0.175376195690E+03   -0.59371E-03   -0.68135E-03   976   0.497E-02    0.633E-02
RMM:   3    -0.175376153859E+03    0.41831E-04   -0.17004E-04   898   0.170E-02
   50 T=  1000. E= -.17343724E+03 F= -.17537615E+03 E0= -.17537862E+03  EK= 0.19389E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8913
 bond charge predicted
 prediction of wavefunctions
 wavefunctions rotated
 writing wavefunctions
