./iterations/neb0_image01_iter243_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 0.365275150533E+03 0.36528E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.323336733988E+01 -0.36204E+03 -0.34890E+03 839 0.196E+02
DAV: 3 -0.954620518945E+02 -0.98695E+02 -0.98351E+02 645 0.116E+02
DAV: 4 -0.100211746715E+03 -0.47497E+01 -0.47374E+01 704 0.297E+01
DAV: 5 -0.100305484408E+03 -0.93738E-01 -0.93693E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.916904431297E+02 0.86150E+01 -0.31034E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908912959010E+02 0.79915E+00 -0.18283E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905151241430E+02 0.37617E+00 -0.55129E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.904314659320E+02 0.83658E-01 -0.13415E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904267659116E+02 0.47000E-02 -0.46750E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904306861095E+02 -0.39202E-02 -0.70416E-03 608 0.526E-01 0.129E-01
DAV: 12 -0.904342633187E+02 -0.35772E-02 -0.71009E-03 637 0.485E-01 0.135E-01
DAV: 13 -0.904366624710E+02 -0.23992E-02 -0.17433E-03 869 0.319E-01 0.744E-02
DAV: 14 -0.904397510532E+02 -0.30886E-02 -0.13721E-03 642 0.181E-01 0.640E-02
DAV: 15 -0.904415486817E+02 -0.17976E-02 -0.34305E-04 680 0.111E-01 0.524E-02
DAV: 16 -0.904429693964E+02 -0.14207E-02 -0.96566E-04 669 0.190E-01 0.355E-02
DAV: 17 -0.904437387944E+02 -0.76940E-03 -0.12979E-04 672 0.751E-02 0.319E-02
DAV: 18 -0.904440402034E+02 -0.30141E-03 -0.10322E-04 672 0.540E-02 0.132E-02
DAV: 19 -0.904441995380E+02 -0.15933E-03 -0.54574E-05 653 0.384E-02 0.843E-03
DAV: 20 -0.904442328771E+02 -0.33339E-04 -0.40551E-06 512 0.158E-02 0.927E-03
DAV: 21 -0.904442705278E+02 -0.37651E-04 -0.76961E-06 409 0.179E-02 0.555E-03
DAV: 22 -0.904442778265E+02 -0.72987E-05 -0.68972E-06 496 0.152E-02
1 F= -.90444278E+02 E0= -.90449648E+02 d E =0.161119E-01