./iterations/neb0_image02_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 0.365199792725E+03 0.36520E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.970834352532E+00 -0.36423E+03 -0.35273E+03 869 0.195E+02
DAV: 3 -0.956818310746E+02 -0.96653E+02 -0.96322E+02 648 0.115E+02
DAV: 4 -0.100206227359E+03 -0.45244E+01 -0.45139E+01 712 0.288E+01
DAV: 5 -0.100296127847E+03 -0.89900E-01 -0.89869E-01 720 0.363E+00 0.222E+01
DAV: 6 -0.916597120286E+02 0.86364E+01 -0.30964E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908454612160E+02 0.81425E+00 -0.18069E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904672177725E+02 0.37824E+00 -0.55547E-01 704 0.431E+00 0.169E+00
DAV: 9 -0.903834276090E+02 0.83790E-01 -0.13429E-01 720 0.166E+00 0.427E-01
DAV: 10 -0.903792797515E+02 0.41479E-02 -0.48250E-02 712 0.127E+00 0.325E-01
DAV: 11 -0.903829040412E+02 -0.36243E-02 -0.73188E-03 621 0.548E-01 0.127E-01
DAV: 12 -0.903863249731E+02 -0.34209E-02 -0.75503E-03 640 0.477E-01 0.141E-01
DAV: 13 -0.903885532285E+02 -0.22283E-02 -0.21224E-03 872 0.350E-01 0.786E-02
DAV: 14 -0.903916171545E+02 -0.30639E-02 -0.14163E-03 615 0.188E-01 0.704E-02
DAV: 15 -0.903932958182E+02 -0.16787E-02 -0.31995E-04 680 0.101E-01 0.597E-02
DAV: 16 -0.903946145608E+02 -0.13187E-02 -0.97091E-04 672 0.192E-01 0.305E-02
DAV: 17 -0.903953645062E+02 -0.74995E-03 -0.13030E-04 664 0.649E-02 0.344E-02
DAV: 18 -0.903956967029E+02 -0.33220E-03 -0.64349E-05 672 0.420E-02 0.213E-02
DAV: 19 -0.903958505965E+02 -0.15389E-03 -0.10920E-04 645 0.594E-02 0.949E-03
DAV: 20 -0.903958868815E+02 -0.36285E-04 -0.77446E-06 496 0.185E-02 0.862E-03
DAV: 21 -0.903959246763E+02 -0.37795E-04 -0.89747E-06 412 0.162E-02 0.454E-03
DAV: 22 -0.903959322572E+02 -0.75810E-05 -0.54583E-06 488 0.141E-02
1 F= -.90395932E+02 E0= -.90401283E+02 d E =0.160534E-01