iterations/neb0_image02_iter68_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 0.367994488105E+03 0.36799E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.464631073184E+01 -0.36335E+03 -0.34862E+03 834 0.195E+02
DAV: 3 -0.956828564953E+02 -0.10033E+03 -0.99995E+02 688 0.116E+02
DAV: 4 -0.100160603304E+03 -0.44777E+01 -0.44677E+01 696 0.279E+01
DAV: 5 -0.100247453619E+03 -0.86850E-01 -0.86808E-01 728 0.348E+00 0.222E+01
DAV: 6 -0.916510488064E+02 0.85964E+01 -0.30940E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908256737699E+02 0.82538E+00 -0.18175E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904376754738E+02 0.38800E+00 -0.56189E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903478525059E+02 0.89823E-01 -0.14018E-01 712 0.166E+00 0.435E-01
DAV: 10 -0.903413574609E+02 0.64950E-02 -0.45560E-02 720 0.126E+00 0.319E-01
DAV: 11 -0.903449535575E+02 -0.35961E-02 -0.69880E-03 608 0.472E-01 0.153E-01
DAV: 12 -0.903482797025E+02 -0.33261E-02 -0.69098E-03 624 0.469E-01 0.126E-01
DAV: 13 -0.903512555229E+02 -0.29758E-02 -0.12597E-03 896 0.310E-01 0.810E-02
DAV: 14 -0.903542666064E+02 -0.30111E-02 -0.14763E-03 637 0.179E-01 0.562E-02
DAV: 15 -0.903568253794E+02 -0.25588E-02 -0.49169E-04 693 0.137E-01 0.405E-02
DAV: 16 -0.903580016724E+02 -0.11763E-02 -0.49515E-04 664 0.118E-01 0.320E-02
DAV: 17 -0.903588884567E+02 -0.88678E-03 -0.18188E-04 842 0.888E-02 0.152E-02
DAV: 18 -0.903590844173E+02 -0.19596E-03 -0.35093E-05 688 0.294E-02 0.103E-02
DAV: 19 -0.903593028725E+02 -0.21846E-03 -0.33244E-05 537 0.283E-02 0.546E-03
DAV: 20 -0.903593450832E+02 -0.42211E-04 -0.35664E-06 480 0.129E-02 0.395E-03
DAV: 21 -0.903593968415E+02 -0.51758E-04 -0.12266E-05 405 0.199E-02 0.283E-03
DAV: 22 -0.903594041940E+02 -0.73525E-05 -0.22773E-06 496 0.840E-03
1 F= -.90359404E+02 E0= -.90365459E+02 d E =0.181647E-01