iterations/neb0_image09_iter292_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 0.374247987487E+03 0.37425E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.332845081516E+01 -0.37092E+03 -0.35824E+03 866 0.196E+02
DAV: 3 -0.967597925753E+02 -0.10009E+03 -0.99765E+02 664 0.117E+02
DAV: 4 -0.101287101003E+03 -0.45273E+01 -0.45166E+01 712 0.287E+01
DAV: 5 -0.101376357501E+03 -0.89256E-01 -0.89216E-01 728 0.365E+00 0.227E+01
DAV: 6 -0.926805600070E+02 0.86958E+01 -0.31025E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918110025497E+02 0.86956E+00 -0.17213E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914354892484E+02 0.37551E+00 -0.54207E-01 704 0.396E+00 0.163E+00
DAV: 9 -0.913540447940E+02 0.81444E-01 -0.13167E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913458068959E+02 0.82379E-02 -0.44967E-02 760 0.108E+00 0.304E-01
DAV: 11 -0.913505525134E+02 -0.47456E-02 -0.13544E-02 608 0.603E-01 0.146E-01
DAV: 12 -0.913535170565E+02 -0.29645E-02 -0.28266E-03 629 0.224E-01 0.114E-01
DAV: 13 -0.913573770765E+02 -0.38600E-02 -0.25138E-03 677 0.265E-01 0.524E-02
DAV: 14 -0.913605681738E+02 -0.31911E-02 -0.59313E-04 672 0.129E-01 0.242E-02
DAV: 15 -0.913621171838E+02 -0.15490E-02 -0.12654E-04 680 0.538E-02 0.181E-02
DAV: 16 -0.913632523694E+02 -0.11352E-02 -0.17535E-04 653 0.607E-02 0.142E-02
DAV: 17 -0.913634555574E+02 -0.20319E-03 -0.13914E-05 496 0.267E-02 0.107E-02
DAV: 18 -0.913636918140E+02 -0.23626E-03 -0.63713E-05 612 0.399E-02 0.887E-03
DAV: 19 -0.913637152636E+02 -0.23450E-04 -0.61627E-06 512 0.229E-02 0.425E-03
DAV: 20 -0.913637441541E+02 -0.28890E-04 -0.10752E-05 415 0.180E-02 0.271E-03
DAV: 21 -0.913637620777E+02 -0.17924E-04 -0.35713E-06 448 0.882E-03 0.343E-03
DAV: 22 -0.913637647450E+02 -0.26672E-05 -0.66387E-07 493 0.647E-03
1 F= -.91363765E+02 E0= -.91368512E+02 d E =0.142406E-01