iterations/neb0_image01_iter248_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 0.365559390709E+03 0.36556E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.327115355841E+01 -0.36229E+03 -0.34911E+03 839 0.196E+02
DAV: 3 -0.954856898496E+02 -0.98757E+02 -0.98411E+02 648 0.116E+02
DAV: 4 -0.100232302306E+03 -0.47466E+01 -0.47344E+01 696 0.297E+01
DAV: 5 -0.100325916512E+03 -0.93614E-01 -0.93569E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916972353469E+02 0.86287E+01 -0.31024E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908928394780E+02 0.80440E+00 -0.18317E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905157703673E+02 0.37707E+00 -0.55233E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904319843915E+02 0.83786E-01 -0.13444E-01 720 0.164E+00 0.424E-01
DAV: 10 -0.904273030373E+02 0.46814E-02 -0.46622E-02 728 0.124E+00 0.319E-01
DAV: 11 -0.904311882230E+02 -0.38852E-02 -0.68677E-03 608 0.518E-01 0.131E-01
DAV: 12 -0.904348206570E+02 -0.36324E-02 -0.72584E-03 637 0.487E-01 0.136E-01
DAV: 13 -0.904372708965E+02 -0.24502E-02 -0.17898E-03 877 0.326E-01 0.747E-02
DAV: 14 -0.904403287397E+02 -0.30578E-02 -0.13504E-03 642 0.178E-01 0.638E-02
DAV: 15 -0.904421632879E+02 -0.18345E-02 -0.34451E-04 680 0.109E-01 0.513E-02
DAV: 16 -0.904436133680E+02 -0.14501E-02 -0.95372E-04 666 0.187E-01 0.361E-02
DAV: 17 -0.904443590638E+02 -0.74570E-03 -0.12610E-04 672 0.759E-02 0.310E-02
DAV: 18 -0.904446611769E+02 -0.30211E-03 -0.12038E-04 664 0.583E-02 0.110E-02
DAV: 19 -0.904448045512E+02 -0.14337E-03 -0.41532E-05 653 0.328E-02 0.840E-03
DAV: 20 -0.904448384724E+02 -0.33921E-04 -0.32831E-06 496 0.142E-02 0.916E-03
DAV: 21 -0.904448769464E+02 -0.38474E-04 -0.85991E-06 428 0.205E-02 0.470E-03
DAV: 22 -0.904448822840E+02 -0.53375E-05 -0.75298E-06 496 0.149E-02
1 F= -.90444882E+02 E0= -.90450501E+02 d E =0.168564E-01