./iterations/neb0_image07_iter209_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.370306869785E+03 0.37031E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.353149473847E+01 -0.36678E+03 -0.35472E+03 869 0.194E+02
DAV: 3 -0.966480353262E+02 -0.10018E+03 -0.99888E+02 704 0.116E+02
DAV: 4 -0.101046867890E+03 -0.43988E+01 -0.43867E+01 712 0.272E+01
DAV: 5 -0.101134338184E+03 -0.87470E-01 -0.87415E-01 736 0.345E+00 0.225E+01
DAV: 6 -0.925608443098E+02 0.85735E+01 -0.30766E+01 725 0.298E+01 0.118E+01
DAV: 7 -0.917180547872E+02 0.84279E+00 -0.17139E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913459807148E+02 0.37207E+00 -0.53757E-01 728 0.396E+00 0.162E+00
DAV: 9 -0.912648108234E+02 0.81170E-01 -0.12848E-01 728 0.155E+00 0.421E-01
DAV: 10 -0.912562011234E+02 0.86097E-02 -0.39259E-02 728 0.102E+00 0.283E-01
DAV: 11 -0.912605666256E+02 -0.43655E-02 -0.10890E-02 616 0.542E-01 0.141E-01
DAV: 12 -0.912634983389E+02 -0.29317E-02 -0.23550E-03 632 0.252E-01 0.907E-02
DAV: 13 -0.912673356701E+02 -0.38373E-02 -0.15747E-03 623 0.198E-01 0.528E-02
DAV: 14 -0.912701447252E+02 -0.28091E-02 -0.73407E-04 789 0.213E-01 0.417E-02
DAV: 15 -0.912719420022E+02 -0.17973E-02 -0.40331E-04 653 0.109E-01 0.345E-02
DAV: 16 -0.912729229342E+02 -0.98093E-03 -0.17352E-04 752 0.794E-02 0.157E-02
DAV: 17 -0.912737547704E+02 -0.83184E-03 -0.13061E-04 725 0.588E-02 0.149E-02
DAV: 18 -0.912739694527E+02 -0.21468E-03 -0.15558E-05 496 0.273E-02 0.905E-03
DAV: 19 -0.912741367630E+02 -0.16731E-03 -0.53831E-05 612 0.390E-02 0.827E-03
DAV: 20 -0.912741484568E+02 -0.11694E-04 -0.45535E-06 520 0.198E-02 0.429E-03
DAV: 21 -0.912741619831E+02 -0.13526E-04 -0.42130E-06 409 0.111E-02 0.153E-03
DAV: 22 -0.912741809948E+02 -0.19012E-04 -0.30092E-06 417 0.886E-03 0.112E-03
DAV: 23 -0.912741833806E+02 -0.23857E-05 -0.99533E-07 496 0.465E-03
1 F= -.91274183E+02 E0= -.91279153E+02 d E =0.149084E-01