   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -713.19536135  energy(sigma->0) =     -713.19550433
  energy  without entropy=     -713.25393619  energy(sigma->0) =     -713.25413183
  energy  without entropy=     -713.22626882  energy(sigma->0) =     -713.22663582
  energy  without entropy=     -713.19243186  energy(sigma->0) =     -713.19295295
  energy  without entropy=     -713.20908953  energy(sigma->0) =     -713.20980916
  energy  without entropy=     -713.18107361  energy(sigma->0) =     -713.18212831
  energy  without entropy=     -713.15069918  energy(sigma->0) =     -713.15249877
