iterations/neb0_image07_iter208_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 0.370571510972E+03 0.37057E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.350936091236E+01 -0.36706E+03 -0.35492E+03 869 0.194E+02
DAV: 3 -0.964891292315E+02 -0.99998E+02 -0.99704E+02 688 0.116E+02
DAV: 4 -0.101053395643E+03 -0.45643E+01 -0.45515E+01 720 0.280E+01
DAV: 5 -0.101145000554E+03 -0.91605E-01 -0.91552E-01 728 0.355E+00 0.226E+01
DAV: 6 -0.925636680373E+02 0.85813E+01 -0.30700E+01 725 0.298E+01 0.118E+01
DAV: 7 -0.917206542448E+02 0.84301E+00 -0.17215E+00 712 0.618E+00 0.479E+00
DAV: 8 -0.913490598653E+02 0.37159E+00 -0.53566E-01 728 0.395E+00 0.162E+00
DAV: 9 -0.912677974710E+02 0.81262E-01 -0.12874E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912591760540E+02 0.86214E-02 -0.39448E-02 728 0.103E+00 0.284E-01
DAV: 11 -0.912635544776E+02 -0.43784E-02 -0.11182E-02 616 0.551E-01 0.143E-01
DAV: 12 -0.912664001592E+02 -0.28457E-02 -0.23230E-03 632 0.252E-01 0.899E-02
DAV: 13 -0.912703275223E+02 -0.39274E-02 -0.16721E-03 623 0.205E-01 0.540E-02
DAV: 14 -0.912728924043E+02 -0.25649E-02 -0.65358E-04 821 0.205E-01 0.394E-02
DAV: 15 -0.912749084638E+02 -0.20161E-02 -0.42115E-04 650 0.106E-01 0.340E-02
DAV: 16 -0.912759273601E+02 -0.10189E-02 -0.15216E-04 752 0.743E-02 0.157E-02
DAV: 17 -0.912767456639E+02 -0.81830E-03 -0.14149E-04 725 0.628E-02 0.155E-02
DAV: 18 -0.912769616000E+02 -0.21594E-03 -0.17672E-05 496 0.295E-02 0.973E-03
DAV: 19 -0.912771007856E+02 -0.13919E-03 -0.49213E-05 618 0.388E-02 0.807E-03
DAV: 20 -0.912771311958E+02 -0.30410E-04 -0.69006E-06 504 0.239E-02 0.320E-03
DAV: 21 -0.912771466022E+02 -0.15406E-04 -0.37996E-06 437 0.101E-02 0.151E-03
DAV: 22 -0.912771634506E+02 -0.16848E-04 -0.19064E-06 417 0.573E-03 0.117E-03
DAV: 23 -0.912771663085E+02 -0.28579E-05 -0.76718E-07 496 0.435E-03
1 F= -.91277166E+02 E0= -.91282226E+02 d E =0.151792E-01