   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -659.32470001  energy(sigma->0) =     -659.32470001
  energy  without entropy=     -686.39505345  energy(sigma->0) =     -686.39505345
  energy  without entropy=     -686.53146993  energy(sigma->0) =     -686.53146993
  energy  without entropy=     -687.19870060  energy(sigma->0) =     -687.19870060
  energy  without entropy=     -696.90517744  energy(sigma->0) =     -696.90517744
  energy  without entropy=     -696.91804728  energy(sigma->0) =     -696.91804728
  energy  without entropy=     -703.45996530  energy(sigma->0) =     -703.45996530
  energy  without entropy=     -704.70582041  energy(sigma->0) =     -704.70582041
  energy  without entropy=     -708.69251474  energy(sigma->0) =     -708.69251474
  energy  without entropy=     -708.69349503  energy(sigma->0) =     -708.69349503
  energy  without entropy=     -711.25277973  energy(sigma->0) =     -711.25277973
  energy  without entropy=     -711.26875515  energy(sigma->0) =     -711.26875515
  energy  without entropy=     -712.40305784  energy(sigma->0) =     -712.40305784
  energy  without entropy=     -712.40479018  energy(sigma->0) =     -712.40479018
  energy  without entropy=     -713.04052773  energy(sigma->0) =     -713.04052773
  energy  without entropy=     -713.06205160  energy(sigma->0) =     -713.06205160
  energy  without entropy=     -713.38570899  energy(sigma->0) =     -713.38570899
  energy  without entropy=     -713.39235725  energy(sigma->0) =     -713.39235725
  energy  without entropy=     -713.59132360  energy(sigma->0) =     -713.59132360
  energy  without entropy=     -713.62343657  energy(sigma->0) =     -713.62343657
  energy  without entropy=     -713.75719934  energy(sigma->0) =     -713.75719934
  energy  without entropy=     -713.77107918  energy(sigma->0) =     -713.77107918
  energy  without entropy=     -713.88022675  energy(sigma->0) =     -713.88022675
  energy  without entropy=     -713.89012741  energy(sigma->0) =     -713.89012741
  energy  without entropy=     -713.95734375  energy(sigma->0) =     -713.95734375
  energy  without entropy=     -713.95755350  energy(sigma->0) =     -713.95755350
  energy  without entropy=     -713.98768647  energy(sigma->0) =     -713.98768647
  energy  without entropy=     -713.98785707  energy(sigma->0) =     -713.98785707
  energy  without entropy=     -714.00554023  energy(sigma->0) =     -714.00554023
  energy  without entropy=     -714.00774673  energy(sigma->0) =     -714.00774673
  energy  without entropy=     -714.02149428  energy(sigma->0) =     -714.02149428
  energy  without entropy=     -714.02285486  energy(sigma->0) =     -714.02285486
  energy  without entropy=     -714.03458179  energy(sigma->0) =     -714.03458179
  energy  without entropy=     -714.04229339  energy(sigma->0) =     -714.04229339
  energy  without entropy=     -714.05578844  energy(sigma->0) =     -714.05578844
  energy  without entropy=     -714.05960616  energy(sigma->0) =     -714.05960616
  energy  without entropy=     -714.07055563  energy(sigma->0) =     -714.07055563
  energy  without entropy=     -714.07237916  energy(sigma->0) =     -714.07237916
  energy  without entropy=     -714.08283718  energy(sigma->0) =     -714.08283718
  energy  without entropy=     -714.08609794  energy(sigma->0) =     -714.08609794
  energy  without entropy=     -714.09652518  energy(sigma->0) =     -714.09652518
  energy  without entropy=     -714.09872170  energy(sigma->0) =     -714.09872170
  energy  without entropy=     -714.10482298  energy(sigma->0) =     -714.10482298
  energy  without entropy=     -714.10483038  energy(sigma->0) =     -714.10483038
  energy  without entropy=     -714.10861661  energy(sigma->0) =     -714.10861661
  energy  without entropy=     -714.10869159  energy(sigma->0) =     -714.10869159
  energy  without entropy=     -714.11061706  energy(sigma->0) =     -714.11061706
  energy  without entropy=     -714.11063023  energy(sigma->0) =     -714.11063023
  energy  without entropy=     -714.11217014  energy(sigma->0) =     -714.11217014
  energy  without entropy=     -714.11236341  energy(sigma->0) =     -714.11236341
  energy  without entropy=     -714.11349150  energy(sigma->0) =     -714.11349150
  energy  without entropy=     -714.11391504  energy(sigma->0) =     -714.11391504
  energy  without entropy=     -714.11479915  energy(sigma->0) =     -714.11479915
  energy  without entropy=     -714.11692437  energy(sigma->0) =     -714.11692437
  energy  without entropy=     -714.11580787  energy(sigma->0) =     -714.11580787
  energy  without entropy=     -714.11752984  energy(sigma->0) =     -714.11752984
  energy  without entropy=     -714.12053487  energy(sigma->0) =     -714.12053487
  energy  without entropy=     -714.12163478  energy(sigma->0) =     -714.12163478
  energy  without entropy=     -714.12243752  energy(sigma->0) =     -714.12243752
  energy  without entropy=     -714.12487852  energy(sigma->0) =     -714.12487852
  energy  without entropy=     -714.12551327  energy(sigma->0) =     -714.12551327
  energy  without entropy=     -714.12703386  energy(sigma->0) =     -714.12703386
  energy  without entropy=     -714.12766681  energy(sigma->0) =     -714.12766681
  energy  without entropy=     -714.12847409  energy(sigma->0) =     -714.12847409
  energy  without entropy=     -714.12891641  energy(sigma->0) =     -714.12891641
  energy  without entropy=     -714.12940120  energy(sigma->0) =     -714.12940120
  energy  without entropy=     -714.12960611  energy(sigma->0) =     -714.12960611
  energy  without entropy=     -714.12996655  energy(sigma->0) =     -714.12996655
  energy  without entropy=     -714.13020252  energy(sigma->0) =     -714.13020252
  energy  without entropy=     -714.13045149  energy(sigma->0) =     -714.13045149
