iterations/neb0_image01_iter124_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 0.366472517631E+03 0.36647E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.336818625053E+01 -0.36310E+03 -0.34986E+03 839 0.195E+02
DAV: 3 -0.957135067596E+02 -0.99082E+02 -0.98738E+02 677 0.116E+02
DAV: 4 -0.100221228654E+03 -0.45077E+01 -0.44981E+01 693 0.282E+01
DAV: 5 -0.100311245186E+03 -0.90017E-01 -0.89965E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916848109602E+02 0.86264E+01 -0.31117E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908744315741E+02 0.81038E+00 -0.18257E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904950309047E+02 0.37940E+00 -0.55687E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904111778517E+02 0.83853E-01 -0.13571E-01 704 0.164E+00 0.426E-01
DAV: 10 -0.904060616918E+02 0.51162E-02 -0.45451E-02 728 0.124E+00 0.315E-01
DAV: 11 -0.904099873181E+02 -0.39256E-02 -0.66530E-03 608 0.487E-01 0.137E-01
DAV: 12 -0.904135606279E+02 -0.35733E-02 -0.68543E-03 626 0.479E-01 0.128E-01
DAV: 13 -0.904161818537E+02 -0.26212E-02 -0.14671E-03 848 0.309E-01 0.742E-02
DAV: 14 -0.904191684873E+02 -0.29866E-02 -0.13664E-03 642 0.175E-01 0.585E-02
DAV: 15 -0.904211542479E+02 -0.19858E-02 -0.36405E-04 672 0.116E-01 0.457E-02
DAV: 16 -0.904225405536E+02 -0.13863E-02 -0.80731E-04 653 0.168E-01 0.365E-02
DAV: 17 -0.904233161137E+02 -0.77556E-03 -0.16628E-04 805 0.939E-02 0.225E-02
DAV: 18 -0.904234898082E+02 -0.17369E-03 -0.51228E-05 688 0.354E-02 0.130E-02
DAV: 19 -0.904237161690E+02 -0.22636E-03 -0.61218E-05 633 0.399E-02 0.656E-03
DAV: 20 -0.904237333403E+02 -0.17171E-04 -0.48825E-06 488 0.145E-02 0.664E-03
DAV: 21 -0.904237687597E+02 -0.35419E-04 -0.66664E-06 409 0.158E-02 0.488E-03
DAV: 22 -0.904237869436E+02 -0.18184E-04 -0.36973E-06 477 0.124E-02 0.287E-03
DAV: 23 -0.904237891757E+02 -0.22321E-05 -0.37959E-06 528 0.110E-02
1 F= -.90423789E+02 E0= -.90428914E+02 d E =0.153747E-01