iterations/neb0_image02_iter224_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 0.366308056093E+03 0.36631E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.366847059730E+00 -0.36594E+03 -0.35554E+03 877 0.195E+02
DAV: 3 -0.956767375353E+02 -0.96044E+02 -0.95713E+02 632 0.115E+02
DAV: 4 -0.100232420776E+03 -0.45557E+01 -0.45451E+01 704 0.294E+01
DAV: 5 -0.100323058875E+03 -0.90638E-01 -0.90604E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.916719081843E+02 0.86512E+01 -0.30939E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908541217738E+02 0.81779E+00 -0.18265E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904733362127E+02 0.38079E+00 -0.55488E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903878088237E+02 0.85527E-01 -0.13569E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903829232713E+02 0.48856E-02 -0.48665E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903866809361E+02 -0.37577E-02 -0.79402E-03 624 0.608E-01 0.117E-01
DAV: 12 -0.903895594574E+02 -0.28785E-02 -0.62272E-03 640 0.392E-01 0.131E-01
DAV: 13 -0.903922917498E+02 -0.27323E-02 -0.18290E-03 856 0.329E-01 0.824E-02
DAV: 14 -0.903954300238E+02 -0.31383E-02 -0.12740E-03 629 0.164E-01 0.685E-02
DAV: 15 -0.903972737326E+02 -0.18437E-02 -0.32718E-04 696 0.108E-01 0.485E-02
DAV: 16 -0.903987229660E+02 -0.14492E-02 -0.92934E-04 672 0.175E-01 0.395E-02
DAV: 17 -0.903993355623E+02 -0.61260E-03 -0.15105E-04 808 0.858E-02 0.228E-02
DAV: 18 -0.903995988917E+02 -0.26333E-03 -0.67108E-05 680 0.403E-02 0.773E-03
DAV: 19 -0.903997970591E+02 -0.19817E-03 -0.31889E-05 574 0.264E-02 0.540E-03
DAV: 20 -0.903998320525E+02 -0.34993E-04 -0.28990E-06 504 0.116E-02 0.468E-03
DAV: 21 -0.903998889431E+02 -0.56891E-04 -0.11807E-05 409 0.175E-02 0.319E-03
DAV: 22 -0.903998934557E+02 -0.45126E-05 -0.30426E-06 504 0.104E-02
1 F= -.90399893E+02 E0= -.90406855E+02 d E =0.208843E-01