   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -595.55041780  energy(sigma->0) =     -595.55041784
  energy  without entropy=      535.79650537  energy(sigma->0) =      535.79650299
  energy  without entropy=     -656.21020745  energy(sigma->0) =     -656.21023192
  energy  without entropy=     -660.51868117  energy(sigma->0) =     -660.51868117
  energy  without entropy=     -671.01171645  energy(sigma->0) =     -671.01171645
  energy  without entropy=     -682.27520701  energy(sigma->0) =     -682.27520701
  energy  without entropy=     -683.69435996  energy(sigma->0) =     -683.69435996
  energy  without entropy=     -681.81706356  energy(sigma->0) =     -681.81706356
  energy  without entropy=     -684.43773926  energy(sigma->0) =     -684.43773926
  energy  without entropy=     -699.44913721  energy(sigma->0) =     -699.44913721
  energy  without entropy=     -701.17814719  energy(sigma->0) =     -701.17814719
  energy  without entropy=     -706.05314005  energy(sigma->0) =     -706.05314005
  energy  without entropy=     -706.93264898  energy(sigma->0) =     -706.93264898
  energy  without entropy=     -709.80353655  energy(sigma->0) =     -709.80353655
  energy  without entropy=     -709.81102861  energy(sigma->0) =     -709.81102861
  energy  without entropy=     -711.33803711  energy(sigma->0) =     -711.33803711
  energy  without entropy=     -711.46622147  energy(sigma->0) =     -711.46622147
  energy  without entropy=     -712.41313524  energy(sigma->0) =     -712.41313524
  energy  without entropy=     -712.44324955  energy(sigma->0) =     -712.44324955
  energy  without entropy=     -713.05659925  energy(sigma->0) =     -713.05659925
  energy  without entropy=     -713.07203055  energy(sigma->0) =     -713.07203055
  energy  without entropy=     -713.37103213  energy(sigma->0) =     -713.37103213
  energy  without entropy=     -713.37376238  energy(sigma->0) =     -713.37376238
  energy  without entropy=     -713.53594299  energy(sigma->0) =     -713.53594299
  energy  without entropy=     -713.54125145  energy(sigma->0) =     -713.54125145
  energy  without entropy=     -713.65042430  energy(sigma->0) =     -713.65042430
  energy  without entropy=     -713.67896583  energy(sigma->0) =     -713.67896583
  energy  without entropy=     -713.75703626  energy(sigma->0) =     -713.75703626
  energy  without entropy=     -713.77157291  energy(sigma->0) =     -713.77157291
  energy  without entropy=     -713.83370376  energy(sigma->0) =     -713.83370376
  energy  without entropy=     -713.85763955  energy(sigma->0) =     -713.85763955
  energy  without entropy=     -713.89480438  energy(sigma->0) =     -713.89480438
  energy  without entropy=     -713.89548366  energy(sigma->0) =     -713.89548366
  energy  without entropy=     -713.91097201  energy(sigma->0) =     -713.91097201
  energy  without entropy=     -713.91319090  energy(sigma->0) =     -713.91319090
  energy  without entropy=     -713.92208878  energy(sigma->0) =     -713.92208878
