iterations/neb0_image01_iter216_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 0.365684390481E+03 0.36568E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.325251555597E+01 -0.36243E+03 -0.34941E+03 839 0.196E+02
DAV: 3 -0.954266271584E+02 -0.98679E+02 -0.98334E+02 645 0.116E+02
DAV: 4 -0.100230028223E+03 -0.48034E+01 -0.47917E+01 704 0.297E+01
DAV: 5 -0.100325862966E+03 -0.95835E-01 -0.95784E-01 728 0.377E+00 0.222E+01
DAV: 6 -0.916936828393E+02 0.86322E+01 -0.30945E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908878593041E+02 0.80582E+00 -0.18316E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905119289724E+02 0.37593E+00 -0.55259E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904291725751E+02 0.82756E-01 -0.13371E-01 728 0.166E+00 0.423E-01
DAV: 10 -0.904245866774E+02 0.45859E-02 -0.46718E-02 712 0.124E+00 0.320E-01
DAV: 11 -0.904285876660E+02 -0.40010E-02 -0.73659E-03 608 0.543E-01 0.125E-01
DAV: 12 -0.904320968299E+02 -0.35092E-02 -0.68062E-03 629 0.466E-01 0.133E-01
DAV: 13 -0.904345056734E+02 -0.24088E-02 -0.16957E-03 853 0.316E-01 0.742E-02
DAV: 14 -0.904376329610E+02 -0.31273E-02 -0.14102E-03 642 0.186E-01 0.661E-02
DAV: 15 -0.904393433933E+02 -0.17104E-02 -0.31770E-04 680 0.111E-01 0.532E-02
DAV: 16 -0.904407464119E+02 -0.14030E-02 -0.10345E-03 669 0.197E-01 0.377E-02
DAV: 17 -0.904415332875E+02 -0.78688E-03 -0.13595E-04 664 0.794E-02 0.326E-02
DAV: 18 -0.904418483758E+02 -0.31509E-03 -0.10109E-04 672 0.520E-02 0.148E-02
DAV: 19 -0.904420081729E+02 -0.15980E-03 -0.64956E-05 645 0.429E-02 0.855E-03
DAV: 20 -0.904420409882E+02 -0.32815E-04 -0.50676E-06 512 0.164E-02 0.938E-03
DAV: 21 -0.904420796126E+02 -0.38624E-04 -0.73734E-06 404 0.157E-02 0.615E-03
DAV: 22 -0.904420879544E+02 -0.83418E-05 -0.60370E-06 480 0.161E-02
1 F= -.90442088E+02 E0= -.90447559E+02 d E =0.164132E-01