iterations/neb0_image01_iter249_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 0.365767925321E+03 0.36577E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.329491434092E+01 -0.36247E+03 -0.34927E+03 839 0.196E+02
DAV: 3 -0.955010256255E+02 -0.98796E+02 -0.98450E+02 648 0.116E+02
DAV: 4 -0.100245307241E+03 -0.47443E+01 -0.47320E+01 696 0.297E+01
DAV: 5 -0.100338718486E+03 -0.93411E-01 -0.93367E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.917008715850E+02 0.86378E+01 -0.31018E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908929450769E+02 0.80793E+00 -0.18341E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905153357207E+02 0.37761E+00 -0.55281E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904315286362E+02 0.83807E-01 -0.13465E-01 720 0.164E+00 0.424E-01
DAV: 10 -0.904268556108E+02 0.46730E-02 -0.46702E-02 728 0.124E+00 0.320E-01
DAV: 11 -0.904307372626E+02 -0.38817E-02 -0.68704E-03 608 0.519E-01 0.131E-01
DAV: 12 -0.904343753543E+02 -0.36381E-02 -0.72922E-03 637 0.487E-01 0.136E-01
DAV: 13 -0.904368385596E+02 -0.24632E-02 -0.18049E-03 877 0.328E-01 0.749E-02
DAV: 14 -0.904398932937E+02 -0.30547E-02 -0.13493E-03 642 0.178E-01 0.639E-02
DAV: 15 -0.904417391378E+02 -0.18458E-02 -0.34744E-04 680 0.109E-01 0.513E-02
DAV: 16 -0.904431931708E+02 -0.14540E-02 -0.96025E-04 666 0.187E-01 0.364E-02
DAV: 17 -0.904439388484E+02 -0.74568E-03 -0.12717E-04 672 0.766E-02 0.309E-02
DAV: 18 -0.904442394397E+02 -0.30059E-03 -0.12218E-04 656 0.585E-02 0.107E-02
DAV: 19 -0.904443821943E+02 -0.14275E-03 -0.40053E-05 653 0.321E-02 0.830E-03
DAV: 20 -0.904444155943E+02 -0.33400E-04 -0.31763E-06 496 0.140E-02 0.905E-03
DAV: 21 -0.904444540773E+02 -0.38483E-04 -0.84575E-06 420 0.202E-02 0.462E-03
DAV: 22 -0.904444595230E+02 -0.54457E-05 -0.74163E-06 496 0.148E-02
1 F= -.90444460E+02 E0= -.90450143E+02 d E =0.170512E-01