   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -713.98772303  energy(sigma->0) =     -713.98772303
  energy  without entropy=     -714.01240154  energy(sigma->0) =     -714.01240154
  energy  without entropy=     -714.01783166  energy(sigma->0) =     -714.01783166
  energy  without entropy=     -714.03185692  energy(sigma->0) =     -714.03185692
  energy  without entropy=     -714.03451963  energy(sigma->0) =     -714.03451963
  energy  without entropy=     -714.04777729  energy(sigma->0) =     -714.04777729
  energy  without entropy=     -714.05742733  energy(sigma->0) =     -714.05742733
  energy  without entropy=     -714.06725030  energy(sigma->0) =     -714.06725030
  energy  without entropy=     -714.07681956  energy(sigma->0) =     -714.07681956
  energy  without entropy=     -714.07753876  energy(sigma->0) =     -714.07753876
  energy  without entropy=     -714.08684188  energy(sigma->0) =     -714.08684188
  energy  without entropy=     -714.09090937  energy(sigma->0) =     -714.09090937
  energy  without entropy=     -714.09875869  energy(sigma->0) =     -714.09875869
  energy  without entropy=     -714.10187250  energy(sigma->0) =     -714.10187250
  energy  without entropy=     -714.10878209  energy(sigma->0) =     -714.10878209
  energy  without entropy=     -714.11147681  energy(sigma->0) =     -714.11147681
  energy  without entropy=     -714.11158303  energy(sigma->0) =     -714.11158303
  energy  without entropy=     -714.11697035  energy(sigma->0) =     -714.11697035
  energy  without entropy=     -714.11818433  energy(sigma->0) =     -714.11818433
  energy  without entropy=     -714.12137610  energy(sigma->0) =     -714.12137610
  energy  without entropy=     -714.12144659  energy(sigma->0) =     -714.12144659
  energy  without entropy=     -714.12311327  energy(sigma->0) =     -714.12311327
  energy  without entropy=     -714.12307351  energy(sigma->0) =     -714.12307351
  energy  without entropy=     -714.12315934  energy(sigma->0) =     -714.12315934
  energy  without entropy=     -714.12390321  energy(sigma->0) =     -714.12390321
  energy  without entropy=     -714.12395379  energy(sigma->0) =     -714.12395379
  energy  without entropy=     -714.12448620  energy(sigma->0) =     -714.12448620
  energy  without entropy=     -714.12449795  energy(sigma->0) =     -714.12449795
  energy  without entropy=     -714.12489505  energy(sigma->0) =     -714.12489505
  energy  without entropy=     -714.12490261  energy(sigma->0) =     -714.12490261
  energy  without entropy=     -714.12528272  energy(sigma->0) =     -714.12528272
  energy  without entropy=     -714.12532330  energy(sigma->0) =     -714.12532330
  energy  without entropy=     -714.12553978  energy(sigma->0) =     -714.12553978
  energy  without entropy=     -714.12579623  energy(sigma->0) =     -714.12579623
  energy  without entropy=     -714.12516708  energy(sigma->0) =     -714.12516708
  energy  without entropy=     -714.12578601  energy(sigma->0) =     -714.12578601
  energy  without entropy=     -714.12581193  energy(sigma->0) =     -714.12581193
  energy  without entropy=     -714.12582048  energy(sigma->0) =     -714.12582048
  energy  without entropy=     -714.12612566  energy(sigma->0) =     -714.12612566
  energy  without entropy=     -714.12656252  energy(sigma->0) =     -714.12656252
  energy  without entropy=     -714.12684825  energy(sigma->0) =     -714.12684825
  energy  without entropy=     -714.12732792  energy(sigma->0) =     -714.12732792
  energy  without entropy=     -714.12679969  energy(sigma->0) =     -714.12679969
  energy  without entropy=     -714.12737879  energy(sigma->0) =     -714.12737879
  energy  without entropy=     -714.12759488  energy(sigma->0) =     -714.12759488
  energy  without entropy=     -714.12823600  energy(sigma->0) =     -714.12823600
  energy  without entropy=     -714.12949484  energy(sigma->0) =     -714.12949484
  energy  without entropy=     -714.13049040  energy(sigma->0) =     -714.13049040
  energy  without entropy=     -714.13052818  energy(sigma->0) =     -714.13052818
  energy  without entropy=     -714.13110218  energy(sigma->0) =     -714.13110218
  energy  without entropy=     -714.13248909  energy(sigma->0) =     -714.13248909
  energy  without entropy=     -714.13224785  energy(sigma->0) =     -714.13224785
  energy  without entropy=     -714.13301017  energy(sigma->0) =     -714.13301017
  energy  without entropy=     -714.13400928  energy(sigma->0) =     -714.13400928
  energy  without entropy=     -714.13639512  energy(sigma->0) =     -714.13639512
  energy  without entropy=     -714.13843706  energy(sigma->0) =     -714.13843706
  energy  without entropy=     -714.13992676  energy(sigma->0) =     -714.13992676
  energy  without entropy=     -714.14054154  energy(sigma->0) =     -714.14054154
  energy  without entropy=     -714.14115087  energy(sigma->0) =     -714.14115087
  energy  without entropy=     -714.14130703  energy(sigma->0) =     -714.14130703
  energy  without entropy=     -714.14177120  energy(sigma->0) =     -714.14177120
  energy  without entropy=     -714.14200887  energy(sigma->0) =     -714.14200887
  energy  without entropy=     -714.14247544  energy(sigma->0) =     -714.14247544
  energy  without entropy=     -714.14281160  energy(sigma->0) =     -714.14281160
  energy  without entropy=     -714.14321433  energy(sigma->0) =     -714.14321433
  energy  without entropy=     -714.14431392  energy(sigma->0) =     -714.14431392
  energy  without entropy=     -714.14626560  energy(sigma->0) =     -714.14626560
  energy  without entropy=     -714.14642794  energy(sigma->0) =     -714.14642794
  energy  without entropy=     -714.14698602  energy(sigma->0) =     -714.14698602
  energy  without entropy=     -714.14732534  energy(sigma->0) =     -714.14732534
  energy  without entropy=     -714.14834510  energy(sigma->0) =     -714.14834510
  energy  without entropy=     -714.15021287  energy(sigma->0) =     -714.15021287
  energy  without entropy=     -714.15017274  energy(sigma->0) =     -714.15017274
  energy  without entropy=     -714.15099833  energy(sigma->0) =     -714.15099833
  energy  without entropy=     -714.15236223  energy(sigma->0) =     -714.15236223
  energy  without entropy=     -714.15554641  energy(sigma->0) =     -714.15554641
  energy  without entropy=     -714.15774957  energy(sigma->0) =     -714.15774957
  energy  without entropy=     -714.16012626  energy(sigma->0) =     -714.16012626
