iterations/neb0_image02_iter290_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 0.366077941967E+03 0.36608E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.110275035219E+01 -0.36498E+03 -0.35328E+03 869 0.196E+02
DAV: 3 -0.955990897687E+02 -0.96702E+02 -0.96369E+02 632 0.115E+02
DAV: 4 -0.100277565266E+03 -0.46785E+01 -0.46677E+01 704 0.296E+01
DAV: 5 -0.100370172605E+03 -0.92607E-01 -0.92570E-01 720 0.375E+00 0.223E+01
DAV: 6 -0.916770776099E+02 0.86931E+01 -0.30933E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908466687870E+02 0.83041E+00 -0.18127E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904670401968E+02 0.37963E+00 -0.55253E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903840491982E+02 0.82991E-01 -0.13438E-01 720 0.167E+00 0.426E-01
DAV: 10 -0.903801513729E+02 0.38978E-02 -0.48041E-02 720 0.126E+00 0.325E-01
DAV: 11 -0.903839560487E+02 -0.38047E-02 -0.77789E-03 621 0.574E-01 0.119E-01
DAV: 12 -0.903872640595E+02 -0.33080E-02 -0.69427E-03 632 0.441E-01 0.139E-01
DAV: 13 -0.903895566647E+02 -0.22926E-02 -0.20999E-03 872 0.342E-01 0.774E-02
DAV: 14 -0.903926544920E+02 -0.30978E-02 -0.13514E-03 615 0.181E-01 0.713E-02
DAV: 15 -0.903942249804E+02 -0.15705E-02 -0.26471E-04 688 0.976E-02 0.573E-02
DAV: 16 -0.903956153985E+02 -0.13904E-02 -0.10202E-03 648 0.194E-01 0.342E-02
DAV: 17 -0.903962873603E+02 -0.67196E-03 -0.11539E-04 688 0.679E-02 0.329E-02
DAV: 18 -0.903966212237E+02 -0.33386E-03 -0.90849E-05 650 0.492E-02 0.163E-02
DAV: 19 -0.903967622201E+02 -0.14100E-03 -0.69975E-05 664 0.451E-02 0.853E-03
DAV: 20 -0.903967983967E+02 -0.36177E-04 -0.44201E-06 488 0.138E-02 0.767E-03
DAV: 21 -0.903968344592E+02 -0.36063E-04 -0.96665E-06 418 0.181E-02 0.319E-03
DAV: 22 -0.903968385096E+02 -0.40504E-05 -0.45891E-06 504 0.129E-02
1 F= -.90396839E+02 E0= -.90402144E+02 d E =0.159158E-01