 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    -0.175537530350E+03   -0.17554E+03   -0.70143E-03  1144   0.721E-02    0.229E-01
RMM:   2    -0.175539661704E+03   -0.21314E-02   -0.24522E-04   976   0.144E-02    0.390E-01
RMM:   3    -0.175536183634E+03    0.34781E-02   -0.35582E-05   905   0.520E-03    0.444E-02
RMM:   4    -0.175536156002E+03    0.27631E-04   -0.34422E-06   650   0.206E-03
    1 T=  1400. E= -.17282168E+03 F= -.17553616E+03 E0= -.17554206E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175528241669E+03    0.79420E-02   -0.59430E-01  1296   0.129E+00    0.520E-01
RMM:   2    -0.175535528385E+03   -0.72867E-02   -0.80990E-02   976   0.191E-01    0.537E-01
RMM:   3    -0.175531114860E+03    0.44135E-02   -0.20002E-03   976   0.601E-02    0.252E-01
RMM:   4    -0.175531076642E+03    0.38218E-04   -0.12361E-04   969   0.103E-02
    2 T=  1400. E= -.17281660E+03 F= -.17553108E+03 E0= -.17553734E+03  EK= 0.27145E+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    -0.175521011457E+03    0.10103E-01   -0.58300E-04  1616   0.109E+00    0.160E-01
RMM:   2    -0.175521576217E+03   -0.56476E-03   -0.55429E-03   976   0.498E-02    0.133E-01
RMM:   3    -0.175521395972E+03    0.18024E-03   -0.16552E-04   959   0.173E-02    0.600E-02
RMM:   4    -0.175521394830E+03    0.11427E-05   -0.42681E-06   680   0.237E-03
    3 T=  1400. E= -.17280692E+03 F= -.17552139E+03 E0= -.17552848E+03  EK= 0.27145E+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    -0.175509606587E+03    0.11789E-01    0.23771E-04  1600   0.108E+00    0.168E-01
RMM:   2    -0.175509746216E+03   -0.13963E-03   -0.90234E-04   976   0.196E-02    0.130E-01
RMM:   3    -0.175509497752E+03    0.24846E-03   -0.26973E-05   783   0.705E-03    0.650E-02
RMM:   4    -0.175509505122E+03   -0.73704E-05   -0.32705E-06   660   0.151E-03
    4 T=  1400. E= -.17279503E+03 F= -.17550951E+03 E0= -.17551795E+03  EK= 0.27145E+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    -0.175496581967E+03    0.12916E-01    0.76643E-04  1376   0.107E+00    0.612E-02
RMM:   2    -0.175496628979E+03   -0.47012E-04   -0.10694E-03   976   0.196E-02    0.483E-02
RMM:   3    -0.175496590762E+03    0.38217E-04   -0.25411E-05   740   0.691E-03
    5 T=  1400. E= -.17278211E+03 F= -.17549659E+03 E0= -.17550701E+03  EK= 0.27145E+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    -0.175484222291E+03    0.12407E-01    0.85859E-04  1608   0.106E+00    0.448E-02
RMM:   2    -0.175484258988E+03   -0.36696E-04   -0.98918E-04   976   0.193E-02
    6 T=  1400. E= -.17276978E+03 F= -.17548426E+03 E0= -.17549706E+03  EK= 0.27145E+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    -0.175473760756E+03    0.10462E-01    0.84438E-04  1512   0.105E+00    0.501E-02
RMM:   2    -0.175473825612E+03   -0.64857E-04   -0.14448E-03   976   0.260E-02    0.356E-02
RMM:   3    -0.175473819941E+03    0.56705E-05   -0.44574E-05   775   0.855E-03
    7 T=  1400. E= -.17275934E+03 F= -.17547382E+03 E0= -.17548820E+03  EK= 0.27145E+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    -0.175466392162E+03    0.74334E-02    0.93288E-04  1656   0.105E+00    0.407E-02
RMM:   2    -0.175466441211E+03   -0.49049E-04   -0.12160E-03   976   0.229E-02    0.337E-02
RMM:   3    -0.175466427274E+03    0.13937E-04   -0.36189E-05   769   0.794E-03
    8 T=  1400. E= -.17275195E+03 F= -.17546643E+03 E0= -.17548073E+03  EK= 0.27145E+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    -0.175462261819E+03    0.41794E-02    0.68048E-04  1536   0.105E+00    0.687E-02
RMM:   2    -0.175462493785E+03   -0.23197E-03   -0.29607E-03   976   0.321E-02    0.547E-02
RMM:   3    -0.175462479729E+03    0.14056E-04   -0.68945E-05   817   0.110E-02
    9 T=  1400. E= -.17274800E+03 F= -.17546248E+03 E0= -.17547582E+03  EK= 0.27145E+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    -0.175461344027E+03    0.11498E-02    0.92675E-05  1528   0.106E+00    0.431E-02
RMM:   2    -0.175461617519E+03   -0.27349E-03   -0.33639E-03   976   0.341E-02    0.411E-02
RMM:   3    -0.175461598834E+03    0.18685E-04   -0.87578E-05   812   0.120E-02
   10 T=  1400. E= -.17274712E+03 F= -.17546160E+03 E0= -.17547360E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8875
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175462959998E+03   -0.13425E-02    0.52537E-04  1568   0.106E+00    0.523E-02
RMM:   2    -0.175463076951E+03   -0.11695E-03   -0.17705E-03   976   0.249E-02    0.404E-02
RMM:   3    -0.175463064185E+03    0.12766E-04   -0.40010E-05   775   0.846E-03
   11 T=  1400. E= -.17274859E+03 F= -.17546306E+03 E0= -.17547358E+03  EK= 0.27145E+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    -0.175465530718E+03   -0.24538E-02    0.28023E-05  1624   0.107E+00    0.366E-02
RMM:   2    -0.175465845071E+03   -0.31435E-03   -0.36981E-03   976   0.347E-02    0.370E-02
RMM:   3    -0.175465826646E+03    0.18425E-04   -0.75042E-05   810   0.113E-02
   12 T=  1400. E= -.17275135E+03 F= -.17546583E+03 E0= -.17547476E+03  EK= 0.27145E+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    -0.175468495578E+03   -0.26505E-02   -0.69321E-04  1624   0.108E+00    0.387E-02
RMM:   2    -0.175468878424E+03   -0.38285E-03   -0.43803E-03   976   0.385E-02    0.373E-02
RMM:   3    -0.175468865262E+03    0.13162E-04   -0.11475E-04   830   0.136E-02
   13 T=  1400. E= -.17275439E+03 F= -.17546887E+03 E0= -.17547619E+03  EK= 0.27145E+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    -0.175470902289E+03   -0.20239E-02   -0.65512E-04  1568   0.110E+00    0.228E-02
RMM:   2    -0.175471131940E+03   -0.22965E-03   -0.29268E-03   976   0.327E-02    0.238E-02
RMM:   3    -0.175471129295E+03    0.26447E-05   -0.84314E-05   831   0.118E-02
   14 T=  1400. E= -.17275665E+03 F= -.17547113E+03 E0= -.17547675E+03  EK= 0.27145E+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    -0.175471389976E+03   -0.25804E-03   -0.11557E-03  1632   0.111E+00    0.403E-02
RMM:   2    -0.175471850746E+03   -0.46077E-03   -0.53224E-03   976   0.423E-02    0.280E-02
RMM:   3    -0.175471848543E+03    0.22028E-05   -0.11327E-04   864   0.137E-02
   15 T=  1400. E= -.17275737E+03 F= -.17547185E+03 E0= -.17547581E+03  EK= 0.27145E+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    -0.175470356789E+03    0.14940E-02   -0.11304E-03  1624   0.112E+00    0.361E-02
RMM:   2    -0.175470617564E+03   -0.26077E-03   -0.34101E-03   976   0.354E-02    0.254E-02
RMM:   3    -0.175470619300E+03   -0.17364E-05   -0.91156E-05   843   0.126E-02
   16 T=  1400. E= -.17275614E+03 F= -.17547062E+03 E0= -.17547312E+03  EK= 0.27145E+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    -0.175466964192E+03    0.36534E-02   -0.20039E-03  1648   0.113E+00    0.324E-02
RMM:   2    -0.175467407184E+03   -0.44299E-03   -0.52970E-03   976   0.442E-02    0.311E-02
RMM:   3    -0.175467397998E+03    0.91860E-05   -0.12475E-04   870   0.147E-02
   17 T=  1400. E= -.17275292E+03 F= -.17546740E+03 E0= -.17546892E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8877
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175462178579E+03    0.52286E-02   -0.16022E-03  1600   0.114E+00    0.294E-02
RMM:   2    -0.175462540613E+03   -0.36203E-03   -0.46626E-03   976   0.414E-02    0.255E-02
RMM:   3    -0.175462536822E+03    0.37907E-05   -0.10897E-04   868   0.140E-02
   18 T=  1400. E= -.17274806E+03 F= -.17546254E+03 E0= -.17546370E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8799
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175456369711E+03    0.61709E-02   -0.15952E-03  1616   0.115E+00    0.336E-02
RMM:   2    -0.175456698691E+03   -0.32898E-03   -0.45106E-03   976   0.404E-02    0.265E-02
RMM:   3    -0.175456694715E+03    0.39757E-05   -0.96442E-05   857   0.130E-02
   19 T=  1400. E= -.17274222E+03 F= -.17545669E+03 E0= -.17545834E+03  EK= 0.27145E+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    -0.175450383172E+03    0.63155E-02   -0.19133E-03  1616   0.117E+00    0.280E-02
RMM:   2    -0.175450754749E+03   -0.37158E-03   -0.50891E-03   976   0.434E-02    0.225E-02
RMM:   3    -0.175450752975E+03    0.17748E-05   -0.12107E-04   862   0.145E-02
   20 T=  1400. E= -.17273628E+03 F= -.17545075E+03 E0= -.17545377E+03  EK= 0.27145E+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    -0.175445213691E+03    0.55411E-02   -0.15829E-03  1624   0.118E+00    0.402E-02
RMM:   2    -0.175445523577E+03   -0.30989E-03   -0.45674E-03   976   0.410E-02    0.283E-02
RMM:   3    -0.175445522503E+03    0.10736E-05   -0.11056E-04   858   0.139E-02
   21 T=  1400. E= -.17273105E+03 F= -.17544552E+03 E0= -.17545071E+03  EK= 0.27145E+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    -0.175441023320E+03    0.45003E-02   -0.12053E-03  1640   0.119E+00    0.320E-02
RMM:   2    -0.175441430126E+03   -0.40681E-03   -0.54927E-03   976   0.444E-02    0.245E-02
RMM:   3    -0.175441427057E+03    0.30693E-05   -0.11541E-04   874   0.143E-02
   22 T=  1400. E= -.17272695E+03 F= -.17544143E+03 E0= -.17544925E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8867
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175437646810E+03    0.37833E-02   -0.81270E-04  1624   0.120E+00    0.524E-02
RMM:   2    -0.175438214228E+03   -0.56742E-03   -0.69489E-03   976   0.499E-02    0.396E-02
RMM:   3    -0.175438197508E+03    0.16720E-04   -0.15408E-04   924   0.163E-02
   23 T=  1400. E= -.17272372E+03 F= -.17543820E+03 E0= -.17544841E+03  EK= 0.27145E+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    -0.175433680477E+03    0.45338E-02   -0.21027E-03  1648   0.122E+00    0.581E-02
RMM:   2    -0.175434401311E+03   -0.72083E-03   -0.85902E-03   976   0.557E-02    0.631E-02
RMM:   3    -0.175434344573E+03    0.56738E-04   -0.20408E-04   916   0.184E-02
   24 T=  1400. E= -.17271987E+03 F= -.17543434E+03 E0= -.17544479E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  483  0.8810
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175425821721E+03    0.85796E-02   -0.77778E-04  1600   0.123E+00    0.805E-02
RMM:   2    -0.175426425803E+03   -0.60408E-03   -0.72179E-03   976   0.511E-02    0.850E-02
RMM:   3    -0.175426327271E+03    0.98532E-04   -0.17231E-04   935   0.171E-02
   25 T=  1400. E= -.17271185E+03 F= -.17542633E+03 E0= -.17543420E+03  EK= 0.27145E+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    -0.175414287045E+03    0.12139E-01   -0.10226E-02  1656   0.124E+00    0.177E-01
RMM:   2    -0.175414996220E+03   -0.70917E-03   -0.11191E-02   976   0.647E-02    0.147E-01
RMM:   3    -0.175414631853E+03    0.36437E-03   -0.25745E-04   961   0.210E-02    0.887E-02
RMM:   4    -0.175414573478E+03    0.58376E-04   -0.15536E-05   726   0.384E-03
   26 T=  1400. E= -.17270010E+03 F= -.17541457E+03 E0= -.17542145E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8612
Information: wavefunction orthogonal band  488  0.8889
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175398457619E+03    0.16174E-01   -0.47519E-03  1552   0.124E+00    0.131E-01
RMM:   2    -0.175398986263E+03   -0.52864E-03   -0.69799E-03   976   0.492E-02    0.118E-01
RMM:   3    -0.175398805603E+03    0.18066E-03   -0.14588E-04   942   0.160E-02    0.562E-02
RMM:   4    -0.175398795207E+03    0.10396E-04   -0.58417E-06   683   0.252E-03
   27 T=  1400. E= -.17268432E+03 F= -.17539880E+03 E0= -.17540406E+03  EK= 0.27145E+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    -0.175377229963E+03    0.21576E-01   -0.34590E-03  1544   0.124E+00    0.118E-01
RMM:   2    -0.175377843888E+03   -0.61393E-03   -0.78099E-03   976   0.545E-02    0.986E-02
RMM:   3    -0.175377773748E+03    0.70140E-04   -0.19147E-04   934   0.184E-02
   28 T=  1400. E= -.17266330E+03 F= -.17537777E+03 E0= -.17538168E+03  EK= 0.27145E+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    -0.175351094119E+03    0.26750E-01   -0.19278E-03  1552   0.124E+00    0.105E-01
RMM:   2    -0.175351646733E+03   -0.55261E-03   -0.62854E-03   976   0.487E-02    0.759E-02
RMM:   3    -0.175351616437E+03    0.30296E-04   -0.15518E-04   909   0.166E-02
   29 T=  1400. E= -.17263714E+03 F= -.17535162E+03 E0= -.17535487E+03  EK= 0.27145E+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    -0.175321011081E+03    0.30636E-01   -0.13496E-03  1560   0.123E+00    0.871E-02
RMM:   2    -0.175321180730E+03   -0.16965E-03   -0.44273E-03   976   0.413E-02    0.587E-02
RMM:   3    -0.175321135776E+03    0.44953E-04   -0.11548E-04   898   0.144E-02
   30 T=  1400. E= -.17260666E+03 F= -.17532114E+03 E0= -.17532409E+03  EK= 0.27145E+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    -0.175286885673E+03    0.34295E-01   -0.33213E-03  1696   0.123E+00    0.929E-02
RMM:   2    -0.175287621400E+03   -0.73573E-03   -0.78766E-03   976   0.544E-02    0.769E-02
RMM:   3    -0.175287554654E+03    0.66746E-04   -0.17165E-04   909   0.174E-02
   31 T=  1400. E= -.17257308E+03 F= -.17528755E+03 E0= -.17529036E+03  EK= 0.27145E+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    -0.175251772048E+03    0.35849E-01   -0.30127E-03  1608   0.122E+00    0.519E-02
RMM:   2    -0.175252408315E+03   -0.63627E-03   -0.65256E-03   976   0.505E-02    0.670E-02
RMM:   3    -0.175252316117E+03    0.92198E-04   -0.16414E-04   905   0.172E-02
   32 T=  1400. E= -.17253784E+03 F= -.17525232E+03 E0= -.17525486E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8500
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175216188322E+03    0.36220E-01   -0.14311E-03  1624   0.121E+00    0.746E-02
RMM:   2    -0.175216762693E+03   -0.57437E-03   -0.68084E-03   976   0.502E-02    0.625E-02
RMM:   3    -0.175216778862E+03   -0.16169E-04   -0.13885E-04   931   0.160E-02
   33 T=  1400. E= -.17250230E+03 F= -.17521678E+03 E0= -.17521934E+03  EK= 0.27145E+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    -0.175181947802E+03    0.34815E-01   -0.42563E-03  1592   0.119E+00    0.422E-02
RMM:   2    -0.175182750603E+03   -0.80280E-03   -0.85928E-03   976   0.572E-02    0.316E-02
RMM:   3    -0.175182725020E+03    0.25584E-04   -0.21390E-04   922   0.196E-02
   34 T=  1400. E= -.17246825E+03 F= -.17518273E+03 E0= -.17518546E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  485  0.8832
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175151313299E+03    0.31437E-01   -0.18146E-03  1624   0.118E+00    0.520E-02
RMM:   2    -0.175151870251E+03   -0.55695E-03   -0.61752E-03   976   0.487E-02    0.386E-02
RMM:   3    -0.175151850139E+03    0.20112E-04   -0.15253E-04   903   0.165E-02
   35 T=  1400. E= -.17243737E+03 F= -.17515185E+03 E0= -.17515465E+03  EK= 0.27145E+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    -0.175125005066E+03    0.26865E-01   -0.22150E-03  1632   0.116E+00    0.658E-02
RMM:   2    -0.175125556245E+03   -0.55118E-03   -0.59815E-03   976   0.475E-02    0.506E-02
RMM:   3    -0.175125525006E+03    0.31239E-04   -0.13826E-04   915   0.158E-02
   36 T=  1400. E= -.17241105E+03 F= -.17512553E+03 E0= -.17512842E+03  EK= 0.27145E+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    -0.175104134320E+03    0.21422E-01   -0.31204E-03  1640   0.115E+00    0.379E-02
RMM:   2    -0.175104897313E+03   -0.76299E-03   -0.81234E-03   976   0.559E-02    0.345E-02
RMM:   3    -0.175104872450E+03    0.24863E-04   -0.17897E-04   910   0.180E-02
   37 T=  1400. E= -.17239040E+03 F= -.17510487E+03 E0= -.17510791E+03  EK= 0.27145E+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    -0.175090668353E+03    0.14229E-01   -0.26752E-03  1632   0.113E+00    0.452E-02
RMM:   2    -0.175090766691E+03   -0.98338E-04   -0.58049E-03   976   0.480E-02    0.358E-02
RMM:   3    -0.175091190585E+03   -0.42389E-03   -0.17063E-04   919   0.173E-02    0.428E-02
RMM:   4    -0.175091189650E+03    0.93467E-06   -0.35900E-06   670   0.225E-03
   38 T=  1400. E= -.17237671E+03 F= -.17509119E+03 E0= -.17509357E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  486  0.8588
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175083393069E+03    0.77975E-02   -0.33236E-03  1560   0.112E+00    0.736E-02
RMM:   2    -0.175084154304E+03   -0.76124E-03   -0.81396E-03   976   0.552E-02    0.554E-02
RMM:   3    -0.175084129056E+03    0.25248E-04   -0.17939E-04   915   0.179E-02
   39 T=  1400. E= -.17236965E+03 F= -.17508413E+03 E0= -.17508649E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  483  0.8797
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175083630195E+03    0.52411E-03   -0.14442E-03  1584   0.111E+00    0.544E-02
RMM:   2    -0.175084073167E+03   -0.44297E-03   -0.47418E-03   976   0.440E-02    0.471E-02
RMM:   3    -0.175084046081E+03    0.27085E-04   -0.13678E-04   901   0.158E-02
   40 T=  1400. E= -.17236957E+03 F= -.17508405E+03 E0= -.17508641E+03  EK= 0.27145E+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    -0.175090123106E+03   -0.60499E-02   -0.19944E-03  1608   0.109E+00    0.506E-02
RMM:   2    -0.175090669167E+03   -0.54606E-03   -0.58732E-03   976   0.471E-02    0.368E-02
RMM:   3    -0.175090650526E+03    0.18641E-04   -0.13742E-04   896   0.157E-02
   41 T=  1400. E= -.17237617E+03 F= -.17509065E+03 E0= -.17509301E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8661
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175102032124E+03   -0.11363E-01   -0.10253E-03  1656   0.109E+00    0.483E-02
RMM:   2    -0.175102376379E+03   -0.34426E-03   -0.41475E-03   976   0.394E-02    0.431E-02
RMM:   3    -0.175102364073E+03    0.12306E-04   -0.10783E-04   876   0.139E-02
   42 T=  1400. E= -.17238789E+03 F= -.17510236E+03 E0= -.17510635E+03  EK= 0.27145E+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    -0.175120374157E+03   -0.17998E-01   -0.15852E-03  1648   0.108E+00    0.823E-02
RMM:   2    -0.175120747644E+03   -0.37349E-03   -0.46023E-03   976   0.409E-02    0.770E-02
RMM:   3    -0.175120675354E+03    0.72290E-04   -0.12059E-04   885   0.144E-02
   43 T=  1400. E= -.17240620E+03 F= -.17512068E+03 E0= -.17512469E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  487  0.8957
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175143618488E+03   -0.22871E-01   -0.66205E-04  1672   0.108E+00    0.684E-02
RMM:   2    -0.175143894664E+03   -0.27618E-03   -0.24399E-03   976   0.304E-02    0.757E-02
RMM:   3    -0.175143772828E+03    0.12184E-03   -0.61666E-05   848   0.106E-02    0.243E-02
RMM:   4    -0.175143773589E+03   -0.76088E-06   -0.18054E-06   652   0.146E-03
   44 T=  1400. E= -.17242930E+03 F= -.17514377E+03 E0= -.17514760E+03  EK= 0.27145E+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    -0.175170418156E+03   -0.26645E-01   -0.14537E-03  1568   0.109E+00    0.635E-02
RMM:   2    -0.175170848956E+03   -0.43080E-03   -0.47003E-03   976   0.409E-02    0.555E-02
RMM:   3    -0.175170794754E+03    0.54202E-04   -0.10599E-04   869   0.133E-02
   45 T=  1400. E= -.17245632E+03 F= -.17517079E+03 E0= -.17517436E+03  EK= 0.27145E+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    -0.175200668395E+03   -0.29819E-01   -0.76573E-04  1592   0.110E+00    0.466E-02
RMM:   2    -0.175200928868E+03   -0.26047E-03   -0.28757E-03   976   0.325E-02    0.465E-02
RMM:   3    -0.175200907842E+03    0.21026E-04   -0.80825E-05   858   0.115E-02
   46 T=  1400. E= -.17248643E+03 F= -.17520091E+03 E0= -.17520420E+03  EK= 0.27145E+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    -0.175232956100E+03   -0.32027E-01   -0.17747E-03  1584   0.112E+00    0.306E-02
RMM:   2    -0.175233488902E+03   -0.53280E-03   -0.57381E-03   976   0.457E-02    0.289E-02
RMM:   3    -0.175233478868E+03    0.10033E-04   -0.13178E-04   872   0.151E-02
   47 T=  1400. E= -.17251900E+03 F= -.17523348E+03 E0= -.17523651E+03  EK= 0.27145E+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    -0.175267611025E+03   -0.34122E-01   -0.15178E-03  1704   0.114E+00    0.351E-02
RMM:   2    -0.175268020382E+03   -0.40936E-03   -0.45252E-03   976   0.404E-02    0.235E-02
RMM:   3    -0.175268020582E+03   -0.19987E-06   -0.11620E-04   855   0.141E-02
   48 T=  1400. E= -.17255354E+03 F= -.17526802E+03 E0= -.17527085E+03  EK= 0.27145E+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    -0.175303450571E+03   -0.35430E-01   -0.27402E-03  1616   0.116E+00    0.440E-02
RMM:   2    -0.175304008056E+03   -0.55749E-03   -0.60370E-03   976   0.458E-02    0.291E-02
RMM:   3    -0.175304003076E+03    0.49805E-05   -0.15439E-04   872   0.159E-02
   49 T=  1400. E= -.17258953E+03 F= -.17530400E+03 E0= -.17530684E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
Information: wavefunction orthogonal band  488  0.8283
 bond charge predicted
 prediction of wavefunctions
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1    -0.175340603858E+03   -0.36596E-01   -0.16393E-03  1696   0.119E+00    0.344E-02
RMM:   2    -0.175341055296E+03   -0.45144E-03   -0.49996E-03   976   0.437E-02    0.267E-02
RMM:   3    -0.175341052892E+03    0.24040E-05   -0.13172E-04   873   0.152E-02
   50 T=  1400. E= -.17262658E+03 F= -.17534105E+03 E0= -.17534430E+03  EK= 0.27145E+01 SP= 0.00E+00 SK= 0.00E+00
 bond charge predicted
 prediction of wavefunctions
 wavefunctions rotated
 writing wavefunctions
