./iterations/neb0_image03_iter156_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 0.364619809236E+03 0.36462E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.399494035348E+00 -0.36422E+03 -0.35392E+03 869 0.195E+02
DAV: 3 -0.960855608572E+02 -0.96485E+02 -0.96182E+02 680 0.115E+02
DAV: 4 -0.100191817890E+03 -0.41063E+01 -0.40967E+01 704 0.271E+01
DAV: 5 -0.100272181074E+03 -0.80363E-01 -0.80328E-01 736 0.340E+00 0.222E+01
DAV: 6 -0.916794611661E+02 0.85927E+01 -0.30735E+01 680 0.298E+01 0.116E+01
DAV: 7 -0.908469603466E+02 0.83250E+00 -0.18198E+00 696 0.634E+00 0.482E+00
DAV: 8 -0.904515747287E+02 0.39539E+00 -0.53716E-01 704 0.421E+00 0.167E+00
DAV: 9 -0.903549668933E+02 0.96608E-01 -0.13651E-01 696 0.186E+00 0.432E-01
DAV: 10 -0.903472776237E+02 0.76893E-02 -0.45682E-02 696 0.113E+00 0.339E-01
DAV: 11 -0.903532940526E+02 -0.60164E-02 -0.19883E-02 605 0.902E-01 0.225E-01
DAV: 12 -0.903533940948E+02 -0.10004E-03 -0.50047E-03 656 0.424E-01 0.166E-01
DAV: 13 -0.903570963214E+02 -0.37022E-02 -0.78252E-03 629 0.582E-01 0.109E-01
DAV: 14 -0.903598181643E+02 -0.27218E-02 -0.12382E-03 669 0.229E-01 0.847E-02
DAV: 15 -0.903623992659E+02 -0.25811E-02 -0.87630E-04 698 0.195E-01 0.363E-02
DAV: 16 -0.903641264473E+02 -0.17272E-02 -0.51661E-04 704 0.141E-01 0.330E-02
DAV: 17 -0.903651837122E+02 -0.10573E-02 -0.13339E-04 706 0.108E-01 0.287E-02
DAV: 18 -0.903656711908E+02 -0.48748E-03 -0.14332E-04 712 0.105E-01 0.197E-02
DAV: 19 -0.903658255255E+02 -0.15433E-03 -0.15118E-04 736 0.917E-02 0.116E-02
DAV: 20 -0.903659107069E+02 -0.85181E-04 -0.29790E-05 609 0.586E-02 0.118E-02
DAV: 21 -0.903659451618E+02 -0.34455E-04 -0.42837E-05 680 0.536E-02 0.179E-02
DAV: 22 -0.903659690020E+02 -0.23840E-04 -0.43805E-05 648 0.459E-02 0.423E-03
DAV: 23 -0.903659781758E+02 -0.91738E-05 -0.97343E-06 504 0.210E-02
1 F= -.90365978E+02 E0= -.90371328E+02 d E =0.160509E-01