iterations/neb0_image06_iter278_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 0.373744000885E+03 0.37374E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.575043015468E+01 -0.36799E+03 -0.35551E+03 850 0.194E+02
DAV: 3 -0.946283376115E+02 -0.10038E+03 -0.99958E+02 688 0.116E+02
DAV: 4 -0.992186503591E+02 -0.45903E+01 -0.45738E+01 720 0.282E+01
DAV: 5 -0.993113974311E+02 -0.92747E-01 -0.92693E-01 720 0.357E+00 0.222E+01
DAV: 6 -0.909247794649E+02 0.83866E+01 -0.29600E+01 693 0.302E+01 0.116E+01
DAV: 7 -0.901038994917E+02 0.82088E+00 -0.16660E+00 720 0.632E+00 0.481E+00
DAV: 8 -0.897223586238E+02 0.38154E+00 -0.58628E-01 704 0.423E+00 0.161E+00
DAV: 9 -0.896356808496E+02 0.86678E-01 -0.12289E-01 704 0.161E+00 0.438E-01
DAV: 10 -0.896255730512E+02 0.10108E-01 -0.38581E-02 720 0.962E-01 0.302E-01
DAV: 11 -0.896297505622E+02 -0.41775E-02 -0.12556E-02 608 0.633E-01 0.181E-01
DAV: 12 -0.896307447810E+02 -0.99422E-03 -0.34812E-03 672 0.359E-01 0.978E-02
DAV: 13 -0.896353786536E+02 -0.46339E-02 -0.30523E-03 625 0.293E-01 0.866E-02
DAV: 14 -0.896373470863E+02 -0.19684E-02 -0.57817E-04 816 0.189E-01 0.388E-02
DAV: 15 -0.896406403793E+02 -0.32933E-02 -0.77599E-04 633 0.145E-01 0.379E-02
DAV: 16 -0.896423908004E+02 -0.17504E-02 -0.24722E-04 808 0.106E-01 0.124E-02
DAV: 17 -0.896433513387E+02 -0.96054E-03 -0.17055E-04 677 0.635E-02 0.199E-02
DAV: 18 -0.896436080515E+02 -0.25671E-03 -0.25110E-05 544 0.332E-02 0.113E-02
DAV: 19 -0.896437474687E+02 -0.13942E-03 -0.39850E-05 664 0.360E-02 0.487E-03
DAV: 20 -0.896438227311E+02 -0.75262E-04 -0.70082E-06 428 0.174E-02 0.204E-03
DAV: 21 -0.896438478540E+02 -0.25123E-04 -0.30903E-06 472 0.731E-03 0.183E-03
DAV: 22 -0.896438595653E+02 -0.11711E-04 -0.18944E-06 417 0.614E-03 0.187E-03
DAV: 23 -0.896438610862E+02 -0.15209E-05 -0.63106E-07 496 0.557E-03
1 F= -.89643861E+02 E0= -.89648487E+02 d E =0.138769E-01