 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    -0.176313732143E+03   -0.17631E+03   -0.23441E-06   984   0.471E-02    0.204E-01
RMM:   2    -0.176315021553E+03   -0.12894E-02   -0.34822E-05   903   0.432E-03    0.335E-01
RMM:   3    -0.176312579180E+03    0.24424E-02   -0.24238E-05   886   0.378E-03    0.245E-02
RMM:   4    -0.176312563667E+03    0.15513E-04   -0.16478E-06   642   0.152E-03
    1 T=   900. E= -.17456754E+03 F= -.17631256E+03 E0= -.17631406E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176317022303E+03   -0.44431E-02   -0.37181E-01  1376   0.128E+00    0.376E-01
RMM:   2    -0.176324983389E+03   -0.79611E-02   -0.84947E-02   976   0.188E-01    0.410E-01
RMM:   3    -0.176321199937E+03    0.37835E-02   -0.15111E-03   976   0.520E-02    0.188E-01
RMM:   4    -0.176321100791E+03    0.99146E-04   -0.88093E-05   935   0.891E-03
    2 T=   900. E= -.17457608E+03 F= -.17632110E+03 E0= -.17632260E+03  EK= 0.17450E+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    -0.176329711322E+03   -0.85114E-02   -0.50119E-04  1592   0.106E+00    0.104E-01
RMM:   2    -0.176330103878E+03   -0.39256E-03   -0.42888E-03   976   0.447E-02    0.836E-02
RMM:   3    -0.176330050398E+03    0.53480E-04   -0.13477E-04   920   0.158E-02
    3 T=   900. E= -.17458503E+03 F= -.17633005E+03 E0= -.17633155E+03  EK= 0.17450E+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    -0.176339878225E+03   -0.97743E-02   -0.42863E-04  1656   0.105E+00    0.108E-01
RMM:   2    -0.176340061657E+03   -0.18343E-03   -0.15880E-03   976   0.242E-02    0.102E-01
RMM:   3    -0.176339923595E+03    0.13806E-03   -0.40510E-05   764   0.846E-03    0.542E-02
RMM:   4    -0.176339930422E+03   -0.68271E-05   -0.22516E-06   646   0.146E-03
    4 T=   900. E= -.17459491E+03 F= -.17633993E+03 E0= -.17634143E+03  EK= 0.17450E+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    -0.176350822213E+03   -0.10899E-01   -0.46584E-04  1528   0.105E+00    0.721E-02
RMM:   2    -0.176350928089E+03   -0.10588E-03   -0.13016E-03   975   0.210E-02    0.592E-02
RMM:   3    -0.176350901694E+03    0.26395E-04   -0.33377E-05   724   0.740E-03
    5 T=   900. E= -.17460588E+03 F= -.17635090E+03 E0= -.17635240E+03  EK= 0.17450E+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    -0.176363162151E+03   -0.12234E-01   -0.45080E-04  1608   0.105E+00    0.332E-02
RMM:   2    -0.176363289232E+03   -0.12708E-03   -0.16296E-03   975   0.231E-02    0.286E-02
RMM:   3    -0.176363280486E+03    0.87462E-05   -0.34903E-05   720   0.760E-03
    6 T=   900. E= -.17461826E+03 F= -.17636328E+03 E0= -.17636478E+03  EK= 0.17450E+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    -0.176377017110E+03   -0.13728E-01   -0.53414E-04  1488   0.105E+00    0.260E-02
RMM:   2    -0.176377184710E+03   -0.16760E-03   -0.20480E-03   975   0.255E-02    0.185E-02
RMM:   3    -0.176377176142E+03    0.85681E-05   -0.41270E-05   733   0.814E-03
    7 T=   900. E= -.17463216E+03 F= -.17637718E+03 E0= -.17637868E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8994
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176392406398E+03   -0.15222E-01   -0.16173E-04  1464   0.105E+00    0.481E-02
RMM:   2    -0.176392582719E+03   -0.17632E-03   -0.21360E-03   975   0.253E-02    0.302E-02
RMM:   3    -0.176392584741E+03   -0.20220E-05   -0.35714E-05   737   0.782E-03
    8 T=   900. E= -.17464756E+03 F= -.17639258E+03 E0= -.17639408E+03  EK= 0.17450E+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    -0.176409240785E+03   -0.16658E-01   -0.37646E-04  1624   0.104E+00    0.307E-02
RMM:   2    -0.176409405884E+03   -0.16510E-03   -0.20310E-03   976   0.254E-02    0.228E-02
RMM:   3    -0.176409402045E+03    0.38390E-05   -0.39531E-05   727   0.817E-03
    9 T=   900. E= -.17466438E+03 F= -.17640940E+03 E0= -.17641090E+03  EK= 0.17450E+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    -0.176427346312E+03   -0.17940E-01   -0.17199E-04  1352   0.104E+00    0.269E-02
RMM:   2    -0.176427429383E+03   -0.83072E-04   -0.12249E-03   976   0.212E-02    0.207E-02
RMM:   3    -0.176427427368E+03    0.20154E-05   -0.24772E-05   700   0.697E-03
   10 T=   900. E= -.17468241E+03 F= -.17642743E+03 E0= -.17642893E+03  EK= 0.17450E+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    -0.176446188779E+03   -0.18759E-01   -0.18941E-04  1416   0.103E+00    0.216E-02
RMM:   2    -0.176446265260E+03   -0.76480E-04   -0.11844E-03   975   0.208E-02    0.145E-02
RMM:   3    -0.176446265481E+03   -0.22164E-06   -0.26467E-05   700   0.708E-03
   11 T=   900. E= -.17470124E+03 F= -.17644627E+03 E0= -.17644776E+03  EK= 0.17450E+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    -0.176465397001E+03   -0.19132E-01   -0.30882E-04  1520   0.103E+00    0.179E-02
RMM:   2    -0.176465528842E+03   -0.13184E-03   -0.17503E-03   976   0.249E-02    0.140E-02
RMM:   3    -0.176465528153E+03    0.68948E-06   -0.36808E-05   730   0.819E-03
   12 T=   900. E= -.17472051E+03 F= -.17646553E+03 E0= -.17646703E+03  EK= 0.17450E+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    -0.176484691764E+03   -0.19163E-01   -0.35369E-04  1600   0.103E+00    0.199E-02
RMM:   2    -0.176484801390E+03   -0.10963E-03   -0.15577E-03   976   0.236E-02    0.131E-02
RMM:   3    -0.176484800753E+03    0.63647E-06   -0.38213E-05   722   0.822E-03
   13 T=   900. E= -.17473978E+03 F= -.17648480E+03 E0= -.17648631E+03  EK= 0.17450E+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    -0.176503412771E+03   -0.18611E-01   -0.33158E-04  1528   0.103E+00    0.193E-02
RMM:   2    -0.176503561661E+03   -0.14889E-03   -0.19441E-03   976   0.255E-02    0.131E-02
RMM:   3    -0.176503559294E+03    0.23672E-05   -0.39223E-05   739   0.828E-03
   14 T=   900. E= -.17475854E+03 F= -.17650356E+03 E0= -.17650506E+03  EK= 0.17450E+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    -0.176521103728E+03   -0.17542E-01   -0.25662E-04  1616   0.102E+00    0.227E-02
RMM:   2    -0.176521220498E+03   -0.11677E-03   -0.16019E-03   976   0.234E-02    0.153E-02
RMM:   3    -0.176521220181E+03    0.31622E-06   -0.31641E-05   727   0.768E-03
   15 T=   900. E= -.17477620E+03 F= -.17652122E+03 E0= -.17652272E+03  EK= 0.17450E+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    -0.176537084753E+03   -0.15864E-01   -0.32326E-04  1616   0.102E+00    0.190E-02
RMM:   2    -0.176537256871E+03   -0.17212E-03   -0.22010E-03   976   0.274E-02    0.144E-02
RMM:   3    -0.176537254375E+03    0.24954E-05   -0.39267E-05   740   0.851E-03
   16 T=   900. E= -.17479223E+03 F= -.17653725E+03 E0= -.17653878E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8916
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176550905653E+03   -0.13649E-01   -0.21971E-04  1608   0.101E+00    0.180E-02
RMM:   2    -0.176551168017E+03   -0.26236E-03   -0.31057E-03   976   0.323E-02    0.141E-02
RMM:   3    -0.176551166151E+03    0.18656E-05   -0.55970E-05   807   0.100E-02
   17 T=   900. E= -.17480615E+03 F= -.17655117E+03 E0= -.17655267E+03  EK= 0.17450E+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    -0.176562045325E+03   -0.10877E-01   -0.18064E-03  1672   0.100E+00    0.204E-02
RMM:   2    -0.176562480546E+03   -0.43522E-03   -0.48453E-03   976   0.407E-02    0.156E-02
RMM:   3    -0.176562467986E+03    0.12560E-04   -0.10001E-04   810   0.130E-02
   18 T=   900. E= -.17481745E+03 F= -.17656247E+03 E0= -.17656397E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8795
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176570403499E+03   -0.79230E-02   -0.10908E-03  1632   0.100E+00    0.185E-02
RMM:   2    -0.176570738576E+03   -0.33508E-03   -0.38400E-03   976   0.357E-02    0.147E-02
RMM:   3    -0.176570729430E+03    0.91453E-05   -0.84185E-05   799   0.118E-02
   19 T=   900. E= -.17482571E+03 F= -.17657073E+03 E0= -.17657223E+03  EK= 0.17450E+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    -0.176575217363E+03   -0.44788E-02   -0.13868E-03  1672   0.993E-01    0.220E-02
RMM:   2    -0.176575585058E+03   -0.36769E-03   -0.41677E-03   975   0.369E-02    0.148E-02
RMM:   3    -0.176575577187E+03    0.78716E-05   -0.96671E-05   802   0.123E-02
   20 T=   900. E= -.17483056E+03 F= -.17657558E+03 E0= -.17657708E+03  EK= 0.17450E+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    -0.176576404096E+03   -0.81904E-03   -0.25250E-03  1632   0.987E-01    0.212E-02
RMM:   2    -0.176576834029E+03   -0.42993E-03   -0.47799E-03   976   0.399E-02    0.165E-02
RMM:   3    -0.176576824676E+03    0.93534E-05   -0.12079E-04   800   0.137E-02
   21 T=   900. E= -.17483180E+03 F= -.17657682E+03 E0= -.17657833E+03  EK= 0.17450E+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    -0.176573937049E+03    0.28970E-02   -0.21692E-03  1592   0.982E-01    0.295E-02
RMM:   2    -0.176574292812E+03   -0.35576E-03   -0.40367E-03   976   0.373E-02    0.199E-02
RMM:   3    -0.176574285906E+03    0.69062E-05   -0.10787E-04   800   0.131E-02
   22 T=   900. E= -.17482927E+03 F= -.17657429E+03 E0= -.17657579E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8965
Information: wavefunction orthogonal band  488  0.8575
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176567584830E+03    0.67080E-02   -0.40616E-04  1584   0.977E-01    0.269E-02
RMM:   2    -0.176567959369E+03   -0.37454E-03   -0.42123E-03   976   0.368E-02    0.194E-02
RMM:   3    -0.176567957694E+03    0.16753E-05   -0.73883E-05   831   0.114E-02
   23 T=   900. E= -.17482294E+03 F= -.17656796E+03 E0= -.17656946E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8197
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176557448900E+03    0.10510E-01   -0.18996E-03  1664   0.972E-01    0.290E-02
RMM:   2    -0.176557915363E+03   -0.46646E-03   -0.51262E-03   976   0.409E-02    0.183E-02
RMM:   3    -0.176557901363E+03    0.14000E-04   -0.95866E-05   825   0.127E-02
   24 T=   900. E= -.17481288E+03 F= -.17655790E+03 E0= -.17655940E+03  EK= 0.17450E+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    -0.176544001313E+03    0.13914E-01   -0.12099E-03  1624   0.969E-01    0.254E-02
RMM:   2    -0.176544302916E+03   -0.30160E-03   -0.34746E-03   976   0.344E-02    0.170E-02
RMM:   3    -0.176544293134E+03    0.97821E-05   -0.77080E-05   771   0.113E-02
   25 T=   900. E= -.17479927E+03 F= -.17654429E+03 E0= -.17654579E+03  EK= 0.17450E+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    -0.176527231668E+03    0.17071E-01   -0.71594E-04  1632   0.966E-01    0.327E-02
RMM:   2    -0.176527477666E+03   -0.24600E-03   -0.21037E-03   976   0.277E-02    0.236E-02
RMM:   3    -0.176527468572E+03    0.90940E-05   -0.53180E-05   762   0.955E-03
   26 T=   900. E= -.17478245E+03 F= -.17652747E+03 E0= -.17652897E+03  EK= 0.17450E+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    -0.176507320548E+03    0.20157E-01   -0.20671E-03  1648   0.963E-01    0.261E-02
RMM:   2    -0.176507721956E+03   -0.40141E-03   -0.51378E-03   976   0.419E-02    0.201E-02
RMM:   3    -0.176507706804E+03    0.15151E-04   -0.11475E-04   824   0.135E-02
   27 T=   900. E= -.17476269E+03 F= -.17650771E+03 E0= -.17650940E+03  EK= 0.17450E+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    -0.176485419229E+03    0.22303E-01   -0.12488E-03  1608   0.960E-01    0.295E-02
RMM:   2    -0.176485614741E+03   -0.19551E-03   -0.28931E-03   976   0.329E-02    0.247E-02
RMM:   3    -0.176485598600E+03    0.16141E-04   -0.75361E-05   794   0.114E-02
   28 T=   900. E= -.17474058E+03 F= -.17648560E+03 E0= -.17648725E+03  EK= 0.17450E+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    -0.176461261376E+03    0.24353E-01   -0.12973E-03  1648   0.958E-01    0.221E-02
RMM:   2    -0.176461619185E+03   -0.35781E-03   -0.40205E-03   976   0.382E-02    0.161E-02
RMM:   3    -0.176461613581E+03    0.56039E-05   -0.91033E-05   814   0.127E-02
   29 T=   900. E= -.17471659E+03 F= -.17646161E+03 E0= -.17646311E+03  EK= 0.17450E+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    -0.176435851688E+03    0.25767E-01   -0.98518E-04  1624   0.956E-01    0.314E-02
RMM:   2    -0.176436142594E+03   -0.29091E-03   -0.35694E-03   976   0.364E-02    0.212E-02
RMM:   3    -0.176436137024E+03    0.55705E-05   -0.83610E-05   819   0.123E-02
   30 T=   900. E= -.17469112E+03 F= -.17643614E+03 E0= -.17643771E+03  EK= 0.17450E+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    -0.176409241455E+03    0.26901E-01   -0.19834E-03  1640   0.957E-01    0.292E-02
RMM:   2    -0.176409712228E+03   -0.47077E-03   -0.51408E-03   976   0.433E-02    0.207E-02
RMM:   3    -0.176409701876E+03    0.10352E-04   -0.11508E-04   827   0.140E-02
   31 T=   900. E= -.17466468E+03 F= -.17640970E+03 E0= -.17641124E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8921
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176382468017E+03    0.27244E-01   -0.90084E-04  1640   0.959E-01    0.237E-02
RMM:   2    -0.176382774095E+03   -0.30608E-03   -0.35020E-03   976   0.364E-02    0.182E-02
RMM:   3    -0.176382767801E+03    0.62932E-05   -0.82540E-05   832   0.121E-02
   32 T=   900. E= -.17463775E+03 F= -.17638277E+03 E0= -.17638427E+03  EK= 0.17450E+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    -0.176355237472E+03    0.27537E-01   -0.18291E-03  1664   0.963E-01    0.281E-02
RMM:   2    -0.176355739297E+03   -0.50183E-03   -0.54798E-03   976   0.457E-02    0.206E-02
RMM:   3    -0.176355733690E+03    0.56066E-05   -0.12632E-04   856   0.151E-02
   33 T=   900. E= -.17461071E+03 F= -.17635573E+03 E0= -.17635724E+03  EK= 0.17450E+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    -0.176328595977E+03    0.27143E-01   -0.18392E-03  1624   0.966E-01    0.328E-02
RMM:   2    -0.176329004656E+03   -0.40868E-03   -0.45277E-03   976   0.422E-02    0.216E-02
RMM:   3    -0.176329002942E+03    0.17137E-05   -0.12319E-04   843   0.148E-02
   34 T=   900. E= -.17458398E+03 F= -.17632900E+03 E0= -.17633050E+03  EK= 0.17450E+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    -0.176302452851E+03    0.26552E-01   -0.16423E-03  1632   0.970E-01    0.230E-02
RMM:   2    -0.176302830817E+03   -0.37797E-03   -0.42175E-03   976   0.405E-02    0.148E-02
RMM:   3    -0.176302830117E+03    0.70038E-06   -0.11419E-04   837   0.144E-02
   35 T=   900. E= -.17455781E+03 F= -.17630283E+03 E0= -.17630433E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8665
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176276926724E+03    0.25904E-01   -0.11341E-03  1616   0.974E-01    0.351E-02
RMM:   2    -0.176277477008E+03   -0.55028E-03   -0.59339E-03   976   0.452E-02    0.240E-02
RMM:   3    -0.176277471263E+03    0.57444E-05   -0.11562E-04   887   0.144E-02
   36 T=   900. E= -.17453245E+03 F= -.17627747E+03 E0= -.17627897E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  484  0.8708
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176252530192E+03    0.24947E-01   -0.30593E-03  1640   0.978E-01    0.216E-02
RMM:   2    -0.176253214806E+03   -0.68461E-03   -0.72692E-03   976   0.516E-02    0.151E-02
RMM:   3    -0.176253195891E+03    0.18915E-04   -0.15242E-04   891   0.162E-02
   37 T=   900. E= -.17450818E+03 F= -.17625320E+03 E0= -.17625470E+03  EK= 0.17450E+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    -0.176229608218E+03    0.23607E-01   -0.35654E-03  1664   0.982E-01    0.315E-02
RMM:   2    -0.176230189179E+03   -0.58096E-03   -0.62129E-03   976   0.495E-02    0.244E-02
RMM:   3    -0.176230178115E+03    0.11064E-04   -0.16310E-04   860   0.171E-02
   38 T=   900. E= -.17448516E+03 F= -.17623018E+03 E0= -.17623168E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8785
Information: wavefunction orthogonal band  487  0.8709
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176208284599E+03    0.21905E-01   -0.68387E-04  1640   0.985E-01    0.283E-02
RMM:   2    -0.176208634630E+03   -0.35003E-03   -0.38912E-03   976   0.378E-02    0.174E-02
RMM:   3    -0.176208631130E+03    0.35005E-05   -0.80631E-05   848   0.122E-02
   39 T=   900. E= -.17446361E+03 F= -.17620863E+03 E0= -.17621013E+03  EK= 0.17450E+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    -0.176188389747E+03    0.20245E-01   -0.22644E-03  1672   0.987E-01    0.266E-02
RMM:   2    -0.176188885728E+03   -0.49598E-03   -0.53243E-03   976   0.439E-02    0.217E-02
RMM:   3    -0.176188868342E+03    0.17386E-04   -0.10434E-04   840   0.136E-02
   40 T=   900. E= -.17444385E+03 F= -.17618887E+03 E0= -.17619037E+03  EK= 0.17450E+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    -0.176170883480E+03    0.18002E-01   -0.15301E-03  1624   0.989E-01    0.363E-02
RMM:   2    -0.176171194713E+03   -0.31123E-03   -0.34643E-03   976   0.363E-02    0.254E-02
RMM:   3    -0.176171189173E+03    0.55408E-05   -0.86702E-05   816   0.124E-02
   41 T=   900. E= -.17442617E+03 F= -.17617119E+03 E0= -.17617269E+03  EK= 0.17450E+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    -0.176155677431E+03    0.15517E-01   -0.11957E-03  1640   0.989E-01    0.312E-02
RMM:   2    -0.176155958173E+03   -0.28074E-03   -0.31400E-03   976   0.343E-02    0.235E-02
RMM:   3    -0.176155954910E+03    0.32624E-05   -0.76814E-05   795   0.119E-02
   42 T=   900. E= -.17441093E+03 F= -.17615595E+03 E0= -.17615745E+03  EK= 0.17450E+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    -0.176143141988E+03    0.12816E-01   -0.13299E-03  1624   0.990E-01    0.284E-02
RMM:   2    -0.176143534818E+03   -0.39283E-03   -0.42429E-03   976   0.390E-02    0.189E-02
RMM:   3    -0.176143526154E+03    0.86633E-05   -0.92661E-05   822   0.128E-02
   43 T=   900. E= -.17439851E+03 F= -.17614353E+03 E0= -.17614503E+03  EK= 0.17450E+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    -0.176133609491E+03    0.99253E-02   -0.15788E-03  1656   0.991E-01    0.224E-02
RMM:   2    -0.176134227769E+03   -0.61828E-03   -0.64759E-03   976   0.471E-02    0.212E-02
RMM:   3    -0.176134218562E+03    0.92074E-05   -0.13119E-04   868   0.150E-02
   44 T=   900. E= -.17438920E+03 F= -.17613422E+03 E0= -.17613572E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8452
Information: wavefunction orthogonal band  488  0.7609
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176127604545E+03    0.66232E-02   -0.23742E-03  1640   0.992E-01    0.293E-02
RMM:   2    -0.176128344893E+03   -0.74035E-03   -0.76868E-03   976   0.517E-02    0.237E-02
RMM:   3    -0.176128333187E+03    0.11706E-04   -0.15287E-04   876   0.163E-02
   45 T=   900. E= -.17438331E+03 F= -.17612833E+03 E0= -.17612983E+03  EK= 0.17450E+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    -0.176125573724E+03    0.27712E-02   -0.21425E-03  1600   0.991E-01    0.261E-02
RMM:   2    -0.176126046813E+03   -0.47309E-03   -0.50033E-03   976   0.426E-02    0.183E-02
RMM:   3    -0.176126034990E+03    0.11824E-04   -0.12282E-04   829   0.145E-02
   46 T=   900. E= -.17438101E+03 F= -.17612603E+03 E0= -.17612753E+03  EK= 0.17450E+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    -0.176127115309E+03   -0.10685E-02   -0.98658E-04  1592   0.989E-01    0.285E-02
RMM:   2    -0.176127360909E+03   -0.24560E-03   -0.27225E-03   976   0.323E-02    0.177E-02
RMM:   3    -0.176127360119E+03    0.78935E-06   -0.71588E-05   790   0.114E-02
   47 T=   900. E= -.17438234E+03 F= -.17612736E+03 E0= -.17612886E+03  EK= 0.17450E+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    -0.176131827347E+03   -0.44664E-02   -0.10678E-03  1592   0.988E-01    0.282E-02
RMM:   2    -0.176132139560E+03   -0.31221E-03   -0.33830E-03   976   0.358E-02    0.192E-02
RMM:   3    -0.176132134062E+03    0.54976E-05   -0.81909E-05   808   0.122E-02
   48 T=   900. E= -.17438711E+03 F= -.17613213E+03 E0= -.17613364E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8905
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176139645893E+03   -0.75063E-02   -0.62761E-04  1608   0.987E-01    0.258E-02
RMM:   2    -0.176140091416E+03   -0.44552E-03   -0.47217E-03   976   0.399E-02    0.181E-02
RMM:   3    -0.176140086226E+03    0.51896E-05   -0.79535E-05   845   0.118E-02
   49 T=   900. E= -.17439507E+03 F= -.17614009E+03 E0= -.17614159E+03  EK= 0.17450E+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    -0.176150187666E+03   -0.10096E-01   -0.30041E-03  1632   0.986E-01    0.264E-02
RMM:   2    -0.176150706776E+03   -0.51911E-03   -0.54637E-03   976   0.443E-02    0.159E-02
RMM:   3    -0.176150690820E+03    0.15956E-04   -0.10901E-04   836   0.137E-02
   50 T=   900. E= -.17440567E+03 F= -.17615069E+03 E0= -.17615221E+03  EK= 0.17450E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  483  0.8898
 bond charge predicted
 prediction of wavefunctions
 wavefunctions rotated
 writing wavefunctions
