   ISPIN  =      2    spin polarized calculation?
  energy  without entropy=     -714.70088515  energy(sigma->0) =     -714.70088515
  energy  without entropy=     -715.14861267  energy(sigma->0) =     -715.14861267
  energy  without entropy=     -715.56046282  energy(sigma->0) =     -715.56046282
  energy  without entropy=     -715.83237745  energy(sigma->0) =     -715.83237745
  energy  without entropy=     -715.84251574  energy(sigma->0) =     -715.84251574
  energy  without entropy=     -716.01806559  energy(sigma->0) =     -716.01806559
  energy  without entropy=     -716.02476154  energy(sigma->0) =     -716.02476154
  energy  without entropy=     -716.12329014  energy(sigma->0) =     -716.12329014
  energy  without entropy=     -716.12897294  energy(sigma->0) =     -716.12897294
  energy  without entropy=     -716.17343630  energy(sigma->0) =     -716.17343630
  energy  without entropy=     -716.19079577  energy(sigma->0) =     -716.19079577
  energy  without entropy=     -716.22087213  energy(sigma->0) =     -716.22087213
  energy  without entropy=     -716.23567322  energy(sigma->0) =     -716.23567322
  energy  without entropy=     -716.27006502  energy(sigma->0) =     -716.27006502
  energy  without entropy=     -716.29336574  energy(sigma->0) =     -716.29336574
  energy  without entropy=     -716.29457598  energy(sigma->0) =     -716.29457598
  energy  without entropy=     -716.30790222  energy(sigma->0) =     -716.30790222
  energy  without entropy=     -716.30871389  energy(sigma->0) =     -716.30871389
  energy  without entropy=     -716.31385151  energy(sigma->0) =     -716.31385151
  energy  without entropy=     -716.31390847  energy(sigma->0) =     -716.31390847
  energy  without entropy=     -716.31605006  energy(sigma->0) =     -716.31605006
  energy  without entropy=     -716.31609555  energy(sigma->0) =     -716.31609555
  energy  without entropy=     -716.31741261  energy(sigma->0) =     -716.31741261
  energy  without entropy=     -716.31754099  energy(sigma->0) =     -716.31754099
  energy  without entropy=     -716.31822943  energy(sigma->0) =     -716.31822943
  energy  without entropy=     -716.31823883  energy(sigma->0) =     -716.31823883
  energy  without entropy=     -716.31881294  energy(sigma->0) =     -716.31881294
  energy  without entropy=     -716.31893313  energy(sigma->0) =     -716.31893313
  energy  without entropy=     -716.31928752  energy(sigma->0) =     -716.31928752
  energy  without entropy=     -716.31928789  energy(sigma->0) =     -716.31928789
  energy  without entropy=     -716.31929015  energy(sigma->0) =     -716.31929015
  energy  without entropy=     -716.31929031  energy(sigma->0) =     -716.31929031
  energy  without entropy=     -716.31929121  energy(sigma->0) =     -716.31929121
  energy  without entropy=     -716.31957496  energy(sigma->0) =     -716.31957496
  energy  without entropy=     -716.31959133  energy(sigma->0) =     -716.31959133
  energy  without entropy=     -716.31977830  energy(sigma->0) =     -716.31977830
  energy  without entropy=     -716.31977915  energy(sigma->0) =     -716.31977915
  energy  without entropy=     -716.31996569  energy(sigma->0) =     -716.31996569
  energy  without entropy=     -716.31997893  energy(sigma->0) =     -716.31997893
  energy  without entropy=     -716.32014082  energy(sigma->0) =     -716.32014082
  energy  without entropy=     -716.32013932  energy(sigma->0) =     -716.32013932
  energy  without entropy=     -716.32014144  energy(sigma->0) =     -716.32014144
  energy  without entropy=     -716.32014188  energy(sigma->0) =     -716.32014188
  energy  without entropy=     -716.32014262  energy(sigma->0) =     -716.32014262
  energy  without entropy=     -716.32014266  energy(sigma->0) =     -716.32014266
  energy  without entropy=     -716.32028344  energy(sigma->0) =     -716.32028344
  energy  without entropy=     -716.32030159  energy(sigma->0) =     -716.32030159
  energy  without entropy=     -716.32037784  energy(sigma->0) =     -716.32037784
  energy  without entropy=     -716.32037189  energy(sigma->0) =     -716.32037189
  energy  without entropy=     -716.32042814  energy(sigma->0) =     -716.32042814
  energy  without entropy=     -716.32042795  energy(sigma->0) =     -716.32042795
 reached required accuracy - stopping structural energy minimisation
