   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -713.34195059  energy(sigma->0) =     -713.34195063
  energy  without entropy=     -713.38997198  energy(sigma->0) =     -713.38997206
  energy  without entropy=     -713.33885479  energy(sigma->0) =     -713.33885494
  energy  without entropy=     -713.34164244  energy(sigma->0) =     -713.34164276
  energy  without entropy=     -713.31159916  energy(sigma->0) =     -713.31159967
  energy  without entropy=     -713.30866722  energy(sigma->0) =     -713.30866785
  energy  without entropy=     -713.20874453  energy(sigma->0) =     -713.20874609
