 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    -0.174885006048E+03   -0.17489E+03    0.38086E-06  1064   0.497E-02    0.235E-01
RMM:   2    -0.174886331096E+03   -0.13250E-02   -0.45762E-05   921   0.490E-03    0.370E-01
RMM:   3    -0.174883425249E+03    0.29058E-02   -0.29142E-05   897   0.413E-03    0.328E-02
RMM:   4    -0.174883408457E+03    0.16792E-04   -0.18291E-06   647   0.164E-03
    1 T=  1200. E= -.17255671E+03 F= -.17488341E+03 E0= -.17489116E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.174978111255E+03   -0.94686E-01   -0.61336E-01  1312   0.138E+00    0.456E-01
RMM:   2    -0.174986465038E+03   -0.83538E-02   -0.93273E-02   976   0.203E-01    0.460E-01
RMM:   3    -0.174982473643E+03    0.39914E-02   -0.21022E-03   975   0.603E-02    0.228E-01
RMM:   4    -0.174982317589E+03    0.15605E-03   -0.11868E-04   967   0.994E-03    0.128E-01
RMM:   5    -0.174982196164E+03    0.12143E-03   -0.22336E-05   741   0.419E-03    0.551E-02
RMM:   6    -0.174982184126E+03    0.12038E-04   -0.52905E-06   679   0.234E-03
    2 T=  1200. E= -.17265549E+03 F= -.17498218E+03 E0= -.17499016E+03  EK= 0.23267E+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    -0.175078842402E+03   -0.96646E-01   -0.57791E-04  1600   0.116E+00    0.931E-02
RMM:   2    -0.175079441716E+03   -0.59931E-03   -0.68663E-03   976   0.545E-02    0.934E-02
RMM:   3    -0.175079403006E+03    0.38709E-04   -0.18894E-04   938   0.182E-02
    3 T=  1200. E= -.17275271E+03 F= -.17507940E+03 E0= -.17508757E+03  EK= 0.23267E+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    -0.175173176339E+03   -0.93735E-01   -0.15879E-04  1656   0.116E+00    0.101E-01
RMM:   2    -0.175173287352E+03   -0.11101E-03   -0.18205E-03   976   0.248E-02    0.650E-02
RMM:   3    -0.175173278679E+03    0.86734E-05   -0.37999E-05   741   0.811E-03
    4 T=  1200. E= -.17284658E+03 F= -.17517328E+03 E0= -.17518165E+03  EK= 0.23267E+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    -0.175262476763E+03   -0.89189E-01    0.43928E-05  1560   0.115E+00    0.914E-02
RMM:   2    -0.175262566330E+03   -0.89567E-04   -0.15429E-03   975   0.231E-02    0.479E-02
RMM:   3    -0.175262537584E+03    0.28746E-04   -0.32758E-05   717   0.759E-03
    5 T=  1200. E= -.17293584E+03 F= -.17526254E+03 E0= -.17527107E+03  EK= 0.23267E+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    -0.175346174530E+03   -0.83608E-01   -0.16322E-04  1560   0.114E+00    0.450E-02
RMM:   2    -0.175346326629E+03   -0.15210E-03   -0.21279E-03   974   0.258E-02    0.492E-02
RMM:   3    -0.175346291056E+03    0.35573E-04   -0.44797E-05   724   0.849E-03
    6 T=  1200. E= -.17301960E+03 F= -.17534629E+03 E0= -.17535495E+03  EK= 0.23267E+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    -0.175423916488E+03   -0.77590E-01   -0.12021E-04  1592   0.114E+00    0.444E-02
RMM:   2    -0.175424009748E+03   -0.93260E-04   -0.16933E-03   976   0.232E-02    0.391E-02
RMM:   3    -0.175423992779E+03    0.16969E-04   -0.43944E-05   724   0.820E-03
    7 T=  1200. E= -.17309730E+03 F= -.17542399E+03 E0= -.17543168E+03  EK= 0.23267E+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    -0.175495020502E+03   -0.71011E-01    0.95576E-06  1576   0.114E+00    0.452E-02
RMM:   2    -0.175495088656E+03   -0.68154E-04   -0.13736E-03   976   0.216E-02    0.325E-02
RMM:   3    -0.175495074396E+03    0.14260E-04   -0.36600E-05   716   0.772E-03
    8 T=  1200. E= -.17316838E+03 F= -.17549507E+03 E0= -.17550058E+03  EK= 0.23267E+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    -0.175559155190E+03   -0.64067E-01   -0.77057E-05  1480   0.114E+00    0.482E-02
RMM:   2    -0.175559220641E+03   -0.65452E-04   -0.15562E-03   976   0.229E-02    0.433E-02
RMM:   3    -0.175559204211E+03    0.16430E-04   -0.36377E-05   722   0.789E-03
    9 T=  1200. E= -.17323251E+03 F= -.17555920E+03 E0= -.17556316E+03  EK= 0.23267E+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    -0.175616066954E+03   -0.56846E-01   -0.25112E-04  1560   0.114E+00    0.487E-02
RMM:   2    -0.175616236893E+03   -0.16994E-03   -0.23092E-03   976   0.275E-02    0.434E-02
RMM:   3    -0.175616212650E+03    0.24243E-04   -0.47396E-05   739   0.890E-03
   10 T=  1200. E= -.17328952E+03 F= -.17561621E+03 E0= -.17561926E+03  EK= 0.23267E+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    -0.175665646070E+03   -0.49409E-01   -0.77393E-04  1600   0.114E+00    0.280E-02
RMM:   2    -0.175665945101E+03   -0.29903E-03   -0.35673E-03   975   0.338E-02    0.339E-02
RMM:   3    -0.175665919349E+03    0.25753E-04   -0.78121E-05   780   0.112E-02
   11 T=  1200. E= -.17333923E+03 F= -.17566592E+03 E0= -.17566849E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8972
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175707713746E+03   -0.41769E-01   -0.11812E-03  1672   0.114E+00    0.371E-02
RMM:   2    -0.175708106180E+03   -0.39243E-03   -0.45568E-03   976   0.387E-02    0.368E-02
RMM:   3    -0.175708092266E+03    0.13914E-04   -0.10575E-04   807   0.129E-02
   12 T=  1200. E= -.17338140E+03 F= -.17570809E+03 E0= -.17571064E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8568
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175742209914E+03   -0.34104E-01   -0.30679E-04  1536   0.115E+00    0.256E-02
RMM:   2    -0.175742450630E+03   -0.24072E-03   -0.30858E-03   976   0.319E-02    0.267E-02
RMM:   3    -0.175742446522E+03    0.41077E-05   -0.60129E-05   783   0.102E-02
   13 T=  1200. E= -.17341575E+03 F= -.17574245E+03 E0= -.17574553E+03  EK= 0.23267E+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    -0.175770060059E+03   -0.27609E-01   -0.68334E-04  1640   0.115E+00    0.755E-02
RMM:   2    -0.175770247644E+03   -0.18759E-03   -0.29667E-03   976   0.317E-02    0.888E-02
RMM:   3    -0.175770159049E+03    0.88595E-04   -0.56993E-05   790   0.996E-03
   14 T=  1200. E= -.17344346E+03 F= -.17577016E+03 E0= -.17577217E+03  EK= 0.23267E+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    -0.175787287919E+03   -0.17040E-01   -0.26264E-04  1560   0.116E+00    0.164E-01
RMM:   2    -0.175787342418E+03   -0.54499E-04   -0.19039E-03   976   0.264E-02    0.224E-01
RMM:   3    -0.175786659471E+03    0.68295E-03   -0.52559E-05   885   0.933E-03    0.688E-02
RMM:   4    -0.175786629669E+03    0.29802E-04   -0.67358E-06   659   0.213E-03
   15 T=  1200. E= -.17345994E+03 F= -.17578663E+03 E0= -.17579111E+03  EK= 0.23267E+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    -0.175799558520E+03   -0.12899E-01   -0.14786E-02  1544   0.116E+00    0.286E-01
RMM:   2    -0.175800044680E+03   -0.48616E-03   -0.23408E-03   976   0.288E-02    0.377E-01
RMM:   3    -0.175797729747E+03    0.23149E-02   -0.72696E-05   947   0.102E-02    0.856E-02
RMM:   4    -0.175797683513E+03    0.46235E-04   -0.10185E-05   721   0.261E-03
   16 T=  1200. E= -.17347099E+03 F= -.17579768E+03 E0= -.17580215E+03  EK= 0.23267E+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    -0.175802572260E+03   -0.48425E-02   -0.31534E-03  1560   0.116E+00    0.161E-01
RMM:   2    -0.175803030295E+03   -0.45804E-03   -0.38472E-03   976   0.371E-02    0.187E-01
RMM:   3    -0.175802413604E+03    0.61669E-03   -0.90447E-05   935   0.124E-02    0.428E-02
RMM:   4    -0.175802402390E+03    0.11214E-04   -0.33419E-06   653   0.181E-03
   17 T=  1200. E= -.17347571E+03 F= -.17580240E+03 E0= -.17580687E+03  EK= 0.23267E+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    -0.175801158787E+03    0.12548E-02   -0.43050E-03  1512   0.116E+00    0.101E-01
RMM:   2    -0.175801398865E+03   -0.24008E-03   -0.27141E-03   976   0.318E-02    0.937E-02
RMM:   3    -0.175801281836E+03    0.11703E-03   -0.67146E-05   844   0.109E-02    0.465E-02
RMM:   4    -0.175801283481E+03   -0.16452E-05   -0.30773E-06   642   0.175E-03
   18 T=  1200. E= -.17347459E+03 F= -.17580128E+03 E0= -.17580579E+03  EK= 0.23267E+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    -0.175794268622E+03    0.70132E-02   -0.35958E-03  1520   0.116E+00    0.618E-02
RMM:   2    -0.175794706785E+03   -0.43816E-03   -0.49744E-03   976   0.421E-02    0.449E-02
RMM:   3    -0.175794673052E+03    0.33734E-04   -0.11453E-04   834   0.139E-02
   19 T=  1200. E= -.17346798E+03 F= -.17579467E+03 E0= -.17579917E+03  EK= 0.23267E+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    -0.175783151687E+03    0.11555E-01   -0.17952E-03  1568   0.116E+00    0.332E-02
RMM:   2    -0.175783432531E+03   -0.28084E-03   -0.33649E-03   976   0.354E-02    0.348E-02
RMM:   3    -0.175783415142E+03    0.17389E-04   -0.93854E-05   827   0.126E-02
   20 T=  1200. E= -.17345672E+03 F= -.17578342E+03 E0= -.17578780E+03  EK= 0.23267E+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    -0.175770334477E+03    0.13098E-01   -0.21666E-03  1568   0.116E+00    0.877E-02
RMM:   2    -0.175770782101E+03   -0.44762E-03   -0.57418E-03   976   0.453E-02    0.111E-01
RMM:   3    -0.175770662594E+03    0.11951E-03   -0.14441E-04   879   0.155E-02    0.432E-02
RMM:   4    -0.175770657230E+03    0.53635E-05   -0.41254E-06   660   0.218E-03
   21 T=  1200. E= -.17344396E+03 F= -.17577066E+03 E0= -.17577266E+03  EK= 0.23267E+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    -0.175754812479E+03    0.15850E-01   -0.18827E-03  1536   0.115E+00    0.206E-01
RMM:   2    -0.175755034554E+03   -0.22208E-03   -0.51554E-03   976   0.428E-02    0.276E-01
RMM:   3    -0.175754220688E+03    0.81387E-03   -0.12966E-04   949   0.146E-02    0.917E-02
RMM:   4    -0.175754187370E+03    0.33319E-04   -0.11324E-05   707   0.297E-03
   22 T=  1200. E= -.17342749E+03 F= -.17575419E+03 E0= -.17575619E+03  EK= 0.23267E+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    -0.175736524089E+03    0.17697E-01   -0.18338E-03  1568   0.115E+00    0.105E-01
RMM:   2    -0.175738181648E+03   -0.16576E-02   -0.52719E-03   976   0.440E-02    0.816E-02
RMM:   3    -0.175738073348E+03    0.10830E-03   -0.13421E-04   894   0.154E-02    0.510E-02
RMM:   4    -0.175738045196E+03    0.28152E-04   -0.34793E-06   656   0.211E-03
   23 T=  1200. E= -.17341135E+03 F= -.17573805E+03 E0= -.17574004E+03  EK= 0.23267E+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    -0.175722582310E+03    0.15491E-01   -0.25079E-03  1528   0.115E+00    0.106E-01
RMM:   2    -0.175723336177E+03   -0.75387E-03   -0.77908E-03   976   0.535E-02    0.784E-02
RMM:   3    -0.175723202969E+03    0.13321E-03   -0.17797E-04   930   0.178E-02    0.463E-02
RMM:   4    -0.175723202865E+03    0.10455E-06   -0.36375E-06   656   0.230E-03
   24 T=  1200. E= -.17339651E+03 F= -.17572320E+03 E0= -.17572667E+03  EK= 0.23267E+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    -0.175714158840E+03    0.90441E-02   -0.28810E-03  1520   0.114E+00    0.140E-01
RMM:   2    -0.175714653908E+03   -0.49507E-03   -0.57581E-03   976   0.470E-02    0.167E-01
RMM:   3    -0.175714325040E+03    0.32887E-03   -0.14943E-04   950   0.164E-02    0.531E-02
RMM:   4    -0.175714320649E+03    0.43916E-05   -0.42340E-06   665   0.231E-03
   25 T=  1200. E= -.17338763E+03 F= -.17571432E+03 E0= -.17571632E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8810
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175709780424E+03    0.45446E-02   -0.97317E-04  1536   0.114E+00    0.146E-01
RMM:   2    -0.175710190227E+03   -0.40980E-03   -0.61162E-03   976   0.474E-02    0.175E-01
RMM:   3    -0.175709799115E+03    0.39111E-03   -0.13283E-04   958   0.154E-02    0.628E-02
RMM:   4    -0.175709780809E+03    0.18306E-04   -0.57616E-06   687   0.245E-03
   26 T=  1200. E= -.17338309E+03 F= -.17570978E+03 E0= -.17571273E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8229
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175712906800E+03   -0.31077E-02   -0.23528E-03  1544   0.113E+00    0.105E-01
RMM:   2    -0.175713351522E+03   -0.44472E-03   -0.59585E-03   976   0.469E-02    0.103E-01
RMM:   3    -0.175713174774E+03    0.17675E-03   -0.13332E-04   941   0.155E-02    0.310E-02
RMM:   4    -0.175713163011E+03    0.11763E-04   -0.33629E-06   670   0.211E-03
   27 T=  1200. E= -.17338647E+03 F= -.17571316E+03 E0= -.17571589E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8961
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175724457322E+03   -0.11283E-01   -0.11352E-03  1536   0.112E+00    0.608E-02
RMM:   2    -0.175724855938E+03   -0.39862E-03   -0.46146E-03   976   0.420E-02    0.452E-02
RMM:   3    -0.175724812812E+03    0.43126E-04   -0.10121E-04   871   0.137E-02
   28 T=  1200. E= -.17339812E+03 F= -.17572481E+03 E0= -.17572734E+03  EK= 0.23267E+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    -0.175744963066E+03   -0.20107E-01   -0.89690E-04  1600   0.111E+00    0.450E-02
RMM:   2    -0.175745217568E+03   -0.25450E-03   -0.32359E-03   976   0.353E-02    0.377E-02
RMM:   3    -0.175745195062E+03    0.22507E-04   -0.77455E-05   843   0.120E-02
   29 T=  1200. E= -.17341850E+03 F= -.17574520E+03 E0= -.17574761E+03  EK= 0.23267E+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    -0.175773798915E+03   -0.28581E-01   -0.16906E-03  1536   0.111E+00    0.323E-02
RMM:   2    -0.175774382023E+03   -0.58311E-03   -0.50962E-03   976   0.427E-02    0.223E-02
RMM:   3    -0.175774373262E+03    0.87609E-05   -0.11131E-04   847   0.139E-02
   30 T=  1200. E= -.17344768E+03 F= -.17577437E+03 E0= -.17577638E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8846
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175810931862E+03   -0.36550E-01   -0.15158E-03  1640   0.110E+00    0.430E-02
RMM:   2    -0.175811307016E+03   -0.37515E-03   -0.44668E-03   976   0.400E-02    0.295E-02
RMM:   3    -0.175811299479E+03    0.75370E-05   -0.10512E-04   841   0.134E-02
   31 T=  1200. E= -.17348461E+03 F= -.17581130E+03 E0= -.17581331E+03  EK= 0.23267E+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    -0.175854479591E+03   -0.43173E-01   -0.11170E-03  1616   0.109E+00    0.296E-02
RMM:   2    -0.175854829761E+03   -0.35017E-03   -0.42262E-03   976   0.389E-02    0.204E-02
RMM:   3    -0.175854829014E+03    0.74715E-06   -0.96224E-05   826   0.129E-02
   32 T=  1200. E= -.17352813E+03 F= -.17585483E+03 E0= -.17585684E+03  EK= 0.23267E+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    -0.175902562621E+03   -0.47733E-01   -0.10887E-03  1664   0.108E+00    0.334E-02
RMM:   2    -0.175902799846E+03   -0.23722E-03   -0.31018E-03   976   0.332E-02    0.229E-02
RMM:   3    -0.175902799911E+03   -0.65478E-07   -0.81794E-05   802   0.117E-02
   33 T=  1200. E= -.17357611E+03 F= -.17590280E+03 E0= -.17590543E+03  EK= 0.23267E+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    -0.175952830491E+03   -0.50031E-01   -0.15528E-03  1656   0.107E+00    0.279E-02
RMM:   2    -0.175953217487E+03   -0.38700E-03   -0.46089E-03   976   0.397E-02    0.209E-02
RMM:   3    -0.175953213853E+03    0.36348E-05   -0.10969E-04   836   0.134E-02
   34 T=  1200. E= -.17362652E+03 F= -.17595321E+03 E0= -.17595619E+03  EK= 0.23267E+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    -0.176002883063E+03   -0.49666E-01   -0.12398E-03  1544   0.107E+00    0.226E-02
RMM:   2    -0.176003203453E+03   -0.32039E-03   -0.38887E-03   976   0.371E-02    0.170E-02
RMM:   3    -0.176003203676E+03   -0.22332E-06   -0.10725E-04   848   0.133E-02
   35 T=  1200. E= -.17367651E+03 F= -.17600320E+03 E0= -.17600672E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8721
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176049601041E+03   -0.46398E-01   -0.78740E-04  1672   0.106E+00    0.290E-02
RMM:   2    -0.176049940154E+03   -0.33911E-03   -0.40640E-03   976   0.368E-02    0.207E-02
RMM:   3    -0.176049935252E+03    0.49027E-05   -0.75070E-05   827   0.112E-02
   36 T=  1200. E= -.17372324E+03 F= -.17604994E+03 E0= -.17605410E+03  EK= 0.23267E+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    -0.176090543696E+03   -0.40604E-01   -0.13789E-03  1608   0.106E+00    0.323E-02
RMM:   2    -0.176090905713E+03   -0.36202E-03   -0.43219E-03   976   0.377E-02    0.281E-02
RMM:   3    -0.176090893688E+03    0.12026E-04   -0.99729E-05   830   0.127E-02
   37 T=  1200. E= -.17376420E+03 F= -.17609089E+03 E0= -.17609534E+03  EK= 0.23267E+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    -0.176123840417E+03   -0.32935E-01   -0.25230E-03  1648   0.105E+00    0.523E-02
RMM:   2    -0.176129087424E+03   -0.52470E-02   -0.47724E-03   976   0.398E-02    0.997E-02
RMM:   3    -0.176129118956E+03   -0.31532E-04   -0.11209E-04   856   0.134E-02
   38 T=  1200. E= -.17380242E+03 F= -.17612912E+03 E0= -.17613134E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8597
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176153675219E+03   -0.24588E-01   -0.22152E-03  1592   0.105E+00    0.138E-01
RMM:   2    -0.176154344551E+03   -0.66933E-03   -0.59254E-03   976   0.454E-02    0.130E-01
RMM:   3    -0.176154057091E+03    0.28746E-03   -0.14120E-04   936   0.152E-02    0.518E-02
RMM:   4    -0.176154055409E+03    0.16821E-05   -0.46637E-06   665   0.226E-03
   39 T=  1200. E= -.17382736E+03 F= -.17615406E+03 E0= -.17615648E+03  EK= 0.23267E+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    -0.176163256534E+03   -0.91994E-02   -0.19398E-03  1512   0.104E+00    0.230E-01
RMM:   2    -0.176168881758E+03   -0.56252E-02   -0.43857E-03   976   0.395E-02    0.245E-01
RMM:   3    -0.176167882804E+03    0.99895E-03   -0.12579E-04   948   0.140E-02    0.961E-02
RMM:   4    -0.176167843119E+03    0.39685E-04   -0.13355E-05   711   0.315E-03
   40 T=  1200. E= -.17384115E+03 F= -.17616784E+03 E0= -.17617060E+03  EK= 0.23267E+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    -0.176165623302E+03    0.22595E-02   -0.23191E-03  1552   0.104E+00    0.164E-01
RMM:   2    -0.176165795852E+03   -0.17255E-03   -0.59273E-03   976   0.442E-02    0.146E-01
RMM:   3    -0.176165502428E+03    0.29342E-03   -0.13322E-04   934   0.145E-02    0.611E-02
RMM:   4    -0.176165453123E+03    0.49305E-04   -0.72393E-06   673   0.251E-03
   41 T=  1200. E= -.17383876E+03 F= -.17616545E+03 E0= -.17616984E+03  EK= 0.23267E+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    -0.176155890024E+03    0.96124E-02   -0.16697E-03  1528   0.104E+00    0.171E-01
RMM:   2    -0.176155938730E+03   -0.48706E-04   -0.49218E-03   976   0.404E-02    0.148E-01
RMM:   3    -0.176155541929E+03    0.39680E-03   -0.11139E-04   933   0.133E-02    0.691E-02
RMM:   4    -0.176155501730E+03    0.40199E-04   -0.87328E-06   679   0.257E-03
   42 T=  1200. E= -.17382881E+03 F= -.17615550E+03 E0= -.17615988E+03  EK= 0.23267E+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    -0.176131300111E+03    0.24242E-01   -0.77556E-04  1544   0.103E+00    0.974E-02
RMM:   2    -0.176131721931E+03   -0.42182E-03   -0.50552E-03   976   0.416E-02    0.704E-02
RMM:   3    -0.176131644862E+03    0.77070E-04   -0.10817E-04   886   0.136E-02
   43 T=  1200. E= -.17380495E+03 F= -.17613164E+03 E0= -.17613524E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8816
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.176093396889E+03    0.38325E-01   -0.18393E-03  1560   0.103E+00    0.909E-02
RMM:   2    -0.176094047917E+03   -0.65103E-03   -0.71837E-03   976   0.500E-02    0.983E-02
RMM:   3    -0.176093894906E+03    0.15301E-03   -0.14575E-04   931   0.156E-02    0.473E-02
RMM:   4    -0.176093885830E+03    0.90762E-05   -0.41292E-06   662   0.221E-03
   44 T=  1200. E= -.17376719E+03 F= -.17609389E+03 E0= -.17609668E+03  EK= 0.23267E+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    -0.176042828766E+03    0.51066E-01   -0.25941E-03  1496   0.104E+00    0.689E-02
RMM:   2    -0.176043388483E+03   -0.55972E-03   -0.61087E-03   976   0.465E-02    0.595E-02
RMM:   3    -0.176043343132E+03    0.45351E-04   -0.14036E-04   880   0.154E-02
   45 T=  1200. E= -.17371665E+03 F= -.17604334E+03 E0= -.17604572E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  485  0.8699
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175981068752E+03    0.62320E-01   -0.17695E-03  1576   0.104E+00    0.359E-02
RMM:   2    -0.175981676389E+03   -0.60764E-03   -0.64860E-03   976   0.477E-02    0.423E-02
RMM:   3    -0.175981646339E+03    0.30050E-04   -0.16192E-04   887   0.163E-02
   46 T=  1200. E= -.17365495E+03 F= -.17598165E+03 E0= -.17598383E+03  EK= 0.23267E+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    -0.175910134654E+03    0.71542E-01   -0.38635E-03  1616   0.104E+00    0.508E-02
RMM:   2    -0.175910809515E+03   -0.67486E-03   -0.71846E-03   976   0.499E-02    0.418E-02
RMM:   3    -0.175910775430E+03    0.34085E-04   -0.16584E-04   861   0.163E-02
   47 T=  1200. E= -.17358408E+03 F= -.17591078E+03 E0= -.17591290E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8860
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175832563834E+03    0.78246E-01   -0.12265E-03  1608   0.105E+00    0.385E-02
RMM:   2    -0.175833058080E+03   -0.49425E-03   -0.54132E-03   976   0.419E-02    0.348E-02
RMM:   3    -0.175833044393E+03    0.13687E-04   -0.11879E-04   856   0.139E-02
   48 T=  1200. E= -.17350635E+03 F= -.17583304E+03 E0= -.17583519E+03  EK= 0.23267E+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    -0.175750325922E+03    0.82732E-01   -0.49728E-03  1712   0.105E+00    0.351E-02
RMM:   2    -0.175751063694E+03   -0.73777E-03   -0.79376E-03   976   0.517E-02    0.259E-02
RMM:   3    -0.175751053716E+03    0.99777E-05   -0.20527E-04   868   0.176E-02
   49 T=  1200. E= -.17342436E+03 F= -.17575105E+03 E0= -.17575328E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8591
Information: wavefunction orthogonal band  488  0.8908
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175667177490E+03    0.83886E-01   -0.39363E-04  1600   0.106E+00    0.413E-02
RMM:   2    -0.175667564558E+03   -0.38707E-03   -0.44279E-03   976   0.383E-02    0.264E-02
RMM:   3    -0.175667564635E+03   -0.77327E-07   -0.10127E-04   854   0.130E-02
   50 T=  1200. E= -.17334087E+03 F= -.17566756E+03 E0= -.17566991E+03  EK= 0.23267E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
 wavefunctions rotated
 writing wavefunctions
