iterations/neb0_image08_iter166_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 0.373635529573E+03 0.37364E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.368748206814E+01 -0.36995E+03 -0.35783E+03 863 0.196E+02
DAV: 3 -0.966999952478E+02 -0.10039E+03 -0.10008E+03 677 0.117E+02
DAV: 4 -0.101221512812E+03 -0.45215E+01 -0.45088E+01 712 0.283E+01
DAV: 5 -0.101310471727E+03 -0.88959E-01 -0.88904E-01 720 0.359E+00 0.227E+01
DAV: 6 -0.926432345333E+02 0.86672E+01 -0.31035E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.917835333552E+02 0.85970E+00 -0.17341E+00 720 0.617E+00 0.479E+00
DAV: 8 -0.914097690105E+02 0.37376E+00 -0.54163E-01 720 0.395E+00 0.163E+00
DAV: 9 -0.913283750853E+02 0.81394E-01 -0.13006E-01 712 0.154E+00 0.421E-01
DAV: 10 -0.913201027087E+02 0.82724E-02 -0.42797E-02 760 0.107E+00 0.294E-01
DAV: 11 -0.913248341350E+02 -0.47314E-02 -0.12260E-02 608 0.576E-01 0.142E-01
DAV: 12 -0.913277558250E+02 -0.29217E-02 -0.26125E-03 630 0.249E-01 0.978E-02
DAV: 13 -0.913311257390E+02 -0.33699E-02 -0.13897E-03 634 0.186E-01 0.462E-02
DAV: 14 -0.913347428702E+02 -0.36171E-02 -0.10190E-03 733 0.222E-01 0.460E-02
DAV: 15 -0.913356042001E+02 -0.86133E-03 -0.28374E-04 704 0.111E-01 0.345E-02
DAV: 16 -0.913366184402E+02 -0.10142E-02 -0.24616E-04 701 0.892E-02 0.144E-02
DAV: 17 -0.913374609849E+02 -0.84254E-03 -0.94169E-05 664 0.458E-02 0.143E-02
DAV: 18 -0.913377472853E+02 -0.28630E-03 -0.35125E-05 600 0.298E-02 0.946E-03
DAV: 19 -0.913378588872E+02 -0.11160E-03 -0.35795E-05 640 0.323E-02 0.771E-03
DAV: 20 -0.913378746014E+02 -0.15714E-04 -0.31964E-06 520 0.151E-02 0.457E-03
DAV: 21 -0.913378907734E+02 -0.16172E-04 -0.59917E-06 404 0.134E-02 0.138E-03
DAV: 22 -0.913378987409E+02 -0.79675E-05 -0.15802E-06 448 0.596E-03
1 F= -.91337899E+02 E0= -.91343413E+02 d E =0.165422E-01