iterations/neb0_image08_iter287_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 0.375368980394E+03 0.37537E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.366888222625E+01 -0.37170E+03 -0.36031E+03 877 0.196E+02
DAV: 3 -0.964703206477E+02 -0.10014E+03 -0.99787E+02 648 0.117E+02
DAV: 4 -0.101271095895E+03 -0.48008E+01 -0.47898E+01 696 0.299E+01
DAV: 5 -0.101366322983E+03 -0.95227E-01 -0.95187E-01 728 0.381E+00 0.228E+01
DAV: 6 -0.926661596208E+02 0.87002E+01 -0.30809E+01 720 0.300E+01 0.120E+01
DAV: 7 -0.917859102236E+02 0.88025E+00 -0.17170E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914104000471E+02 0.37551E+00 -0.54507E-01 728 0.399E+00 0.162E+00
DAV: 9 -0.913294229584E+02 0.80977E-01 -0.13012E-01 736 0.154E+00 0.422E-01
DAV: 10 -0.913209393936E+02 0.84836E-02 -0.45391E-02 765 0.109E+00 0.305E-01
DAV: 11 -0.913258581338E+02 -0.49187E-02 -0.14640E-02 608 0.628E-01 0.158E-01
DAV: 12 -0.913286822480E+02 -0.28241E-02 -0.29664E-03 634 0.235E-01 0.108E-01
DAV: 13 -0.913326273578E+02 -0.39451E-02 -0.27174E-03 639 0.268E-01 0.594E-02
DAV: 14 -0.913359959570E+02 -0.33686E-02 -0.99599E-04 653 0.181E-01 0.285E-02
DAV: 15 -0.913373169351E+02 -0.13210E-02 -0.16882E-04 680 0.696E-02 0.185E-02
DAV: 16 -0.913383501322E+02 -0.10332E-02 -0.16303E-04 634 0.751E-02 0.122E-02
DAV: 17 -0.913387249883E+02 -0.37486E-03 -0.37607E-05 672 0.293E-02 0.109E-02
DAV: 18 -0.913388266726E+02 -0.10168E-03 -0.11211E-05 496 0.222E-02 0.493E-03
DAV: 19 -0.913389760426E+02 -0.14937E-03 -0.25860E-05 516 0.231E-02 0.485E-03
DAV: 20 -0.913389887753E+02 -0.12733E-04 -0.17631E-06 520 0.100E-02 0.300E-03
DAV: 21 -0.913390072906E+02 -0.18515E-04 -0.58895E-06 406 0.153E-02 0.278E-03
DAV: 22 -0.913390136553E+02 -0.63648E-05 -0.13532E-06 461 0.823E-03
1 F= -.91339014E+02 E0= -.91343891E+02 d E =0.146334E-01