./iterations/neb0_image06_iter140_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 0.370788923578E+03 0.37079E+03 -0.14339E+04 640 0.799E+02
DAV: 2 0.354280524968E+01 -0.36725E+03 -0.35507E+03 877 0.193E+02
DAV: 3 -0.959258175304E+02 -0.99469E+02 -0.99141E+02 704 0.116E+02
DAV: 4 -0.100321262173E+03 -0.43954E+01 -0.43828E+01 696 0.272E+01
DAV: 5 -0.100409004272E+03 -0.87742E-01 -0.87704E-01 736 0.342E+00 0.225E+01
DAV: 6 -0.919056488318E+02 0.85034E+01 -0.30529E+01 701 0.302E+01 0.117E+01
DAV: 7 -0.910892672507E+02 0.81638E+00 -0.17040E+00 720 0.629E+00 0.481E+00
DAV: 8 -0.907101384466E+02 0.37913E+00 -0.54997E-01 712 0.409E+00 0.165E+00
DAV: 9 -0.906210788126E+02 0.89060E-01 -0.12986E-01 728 0.164E+00 0.427E-01
DAV: 10 -0.906110426309E+02 0.10036E-01 -0.37268E-02 744 0.994E-01 0.287E-01
DAV: 11 -0.906147659227E+02 -0.37233E-02 -0.91961E-03 607 0.516E-01 0.140E-01
DAV: 12 -0.906170873481E+02 -0.23214E-02 -0.19204E-03 661 0.251E-01 0.925E-02
DAV: 13 -0.906213699655E+02 -0.42826E-02 -0.15978E-03 627 0.217E-01 0.729E-02
DAV: 14 -0.906238330144E+02 -0.24630E-02 -0.70070E-04 696 0.147E-01 0.287E-02
DAV: 15 -0.906267087347E+02 -0.28757E-02 -0.38853E-04 623 0.983E-02 0.312E-02
DAV: 16 -0.906280023462E+02 -0.12936E-02 -0.10827E-04 669 0.522E-02 0.146E-02
DAV: 17 -0.906288517624E+02 -0.84942E-03 -0.12637E-04 639 0.514E-02 0.125E-02
DAV: 18 -0.906290556879E+02 -0.20393E-03 -0.16547E-05 512 0.283E-02 0.926E-03
DAV: 19 -0.906291591995E+02 -0.10351E-03 -0.33209E-05 612 0.320E-02 0.763E-03
DAV: 20 -0.906291856088E+02 -0.26409E-04 -0.92765E-06 504 0.271E-02 0.329E-03
DAV: 21 -0.906292112304E+02 -0.25622E-04 -0.44412E-06 406 0.128E-02 0.147E-03
DAV: 22 -0.906292287989E+02 -0.17568E-04 -0.31642E-06 428 0.815E-03 0.166E-03
DAV: 23 -0.906292324176E+02 -0.36187E-05 -0.60685E-07 488 0.408E-03
1 F= -.90629232E+02 E0= -.90633408E+02 d E =0.125281E-01