./iterations/neb0_image07_iter174_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 0.371169523258E+03 0.37117E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.320370197910E+01 -0.36797E+03 -0.35534E+03 869 0.194E+02
DAV: 3 -0.962795684213E+02 -0.99483E+02 -0.99161E+02 664 0.116E+02
DAV: 4 -0.101030824352E+03 -0.47513E+01 -0.47394E+01 696 0.291E+01
DAV: 5 -0.101129508531E+03 -0.98684E-01 -0.98615E-01 736 0.375E+00 0.226E+01
DAV: 6 -0.925559125049E+02 0.85736E+01 -0.30462E+01 736 0.298E+01 0.119E+01
DAV: 7 -0.917052123516E+02 0.85070E+00 -0.17231E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913353716979E+02 0.36984E+00 -0.52508E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912543453975E+02 0.81026E-01 -0.13103E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912460222950E+02 0.83231E-02 -0.43263E-02 757 0.110E+00 0.298E-01
DAV: 11 -0.912502544896E+02 -0.42322E-02 -0.12154E-02 608 0.581E-01 0.138E-01
DAV: 12 -0.912531772254E+02 -0.29227E-02 -0.26828E-03 620 0.252E-01 0.969E-02
DAV: 13 -0.912569828460E+02 -0.38056E-02 -0.13909E-03 642 0.194E-01 0.476E-02
DAV: 14 -0.912600054271E+02 -0.30226E-02 -0.54160E-04 789 0.161E-01 0.314E-02
DAV: 15 -0.912615923054E+02 -0.15869E-02 -0.25015E-04 677 0.891E-02 0.305E-02
DAV: 16 -0.912626463812E+02 -0.10541E-02 -0.15487E-04 701 0.685E-02 0.121E-02
DAV: 17 -0.912633253002E+02 -0.67892E-03 -0.70727E-05 677 0.417E-02 0.115E-02
DAV: 18 -0.912635862168E+02 -0.26092E-03 -0.39670E-05 680 0.383E-02 0.959E-03
DAV: 19 -0.912636759792E+02 -0.89762E-04 -0.12219E-05 453 0.238E-02 0.368E-03
DAV: 20 -0.912636975674E+02 -0.21588E-04 -0.83979E-06 512 0.155E-02 0.248E-03
DAV: 21 -0.912637237071E+02 -0.26140E-04 -0.28194E-06 409 0.880E-03 0.100E-03
DAV: 22 -0.912637310398E+02 -0.73328E-05 -0.14504E-06 472 0.537E-03
1 F= -.91263731E+02 E0= -.91269219E+02 d E =0.164653E-01