   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -657.61061528  energy(sigma->0) =     -657.61061528
  energy  without entropy=     -684.73785401  energy(sigma->0) =     -684.73785484
  energy  without entropy=     -685.01933769  energy(sigma->0) =     -685.01933769
  energy  without entropy=     -685.70390473  energy(sigma->0) =     -685.70390473
  energy  without entropy=     -696.19505461  energy(sigma->0) =     -696.19505461
  energy  without entropy=     -696.19522230  energy(sigma->0) =     -696.19522230
  energy  without entropy=     -702.96939901  energy(sigma->0) =     -702.96939901
  energy  without entropy=     -704.24630156  energy(sigma->0) =     -704.24630156
  energy  without entropy=     -708.23561143  energy(sigma->0) =     -708.23561143
  energy  without entropy=     -708.24293442  energy(sigma->0) =     -708.24293442
  energy  without entropy=     -710.75899585  energy(sigma->0) =     -710.75899585
  energy  without entropy=     -710.76796792  energy(sigma->0) =     -710.76796792
  energy  without entropy=     -711.93393163  energy(sigma->0) =     -711.93393163
  energy  without entropy=     -711.93418798  energy(sigma->0) =     -711.93418798
  energy  without entropy=     -712.69339863  energy(sigma->0) =     -712.69339863
  energy  without entropy=     -712.71828052  energy(sigma->0) =     -712.71828052
  energy  without entropy=     -713.14215408  energy(sigma->0) =     -713.14215408
  energy  without entropy=     -713.15176890  energy(sigma->0) =     -713.15176890
  energy  without entropy=     -713.43588970  energy(sigma->0) =     -713.43588970
  energy  without entropy=     -713.48449168  energy(sigma->0) =     -713.48449168
  energy  without entropy=     -713.65939046  energy(sigma->0) =     -713.65939046
  energy  without entropy=     -713.66062408  energy(sigma->0) =     -713.66062408
  energy  without entropy=     -713.77041672  energy(sigma->0) =     -713.77041672
  energy  without entropy=     -713.77949345  energy(sigma->0) =     -713.77949345
  energy  without entropy=     -713.87168010  energy(sigma->0) =     -713.87168010
  energy  without entropy=     -713.88625497  energy(sigma->0) =     -713.88625497
  energy  without entropy=     -713.95465272  energy(sigma->0) =     -713.95465272
