   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -713.62941214  energy(sigma->0) =     -713.62941217
  energy  without entropy=     -713.70472043  energy(sigma->0) =     -713.70472047
  energy  without entropy=     -713.65940127  energy(sigma->0) =     -713.65940131
  energy  without entropy=     -713.67172305  energy(sigma->0) =     -713.67172312
  energy  without entropy=     -713.66233160  energy(sigma->0) =     -713.66233168
  energy  without entropy=     -713.66861635  energy(sigma->0) =     -713.66861641
  energy  without entropy=     -713.69201963  energy(sigma->0) =     -713.69201965
