./iterations/neb0_image07_iter235_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 0.372067588059E+03 0.37207E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.392097187990E+01 -0.36815E+03 -0.35631E+03 863 0.194E+02
DAV: 3 -0.965506555391E+02 -0.10047E+03 -0.10015E+03 685 0.116E+02
DAV: 4 -0.101159682567E+03 -0.46090E+01 -0.45964E+01 696 0.281E+01
DAV: 5 -0.101252236944E+03 -0.92554E-01 -0.92492E-01 736 0.357E+00 0.228E+01
DAV: 6 -0.926007108554E+02 0.86515E+01 -0.30693E+01 728 0.299E+01 0.119E+01
DAV: 7 -0.917381001991E+02 0.86261E+00 -0.17427E+00 728 0.618E+00 0.481E+00
DAV: 8 -0.913630026991E+02 0.37510E+00 -0.54537E-01 728 0.397E+00 0.161E+00
DAV: 9 -0.912822473565E+02 0.80755E-01 -0.13119E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912734503460E+02 0.87970E-02 -0.40062E-02 744 0.104E+00 0.287E-01
DAV: 11 -0.912777643748E+02 -0.43140E-02 -0.11139E-02 608 0.545E-01 0.138E-01
DAV: 12 -0.912809904023E+02 -0.32260E-02 -0.26347E-03 621 0.271E-01 0.879E-02
DAV: 13 -0.912845810558E+02 -0.35907E-02 -0.12083E-03 639 0.164E-01 0.556E-02
DAV: 14 -0.912881660104E+02 -0.35850E-02 -0.11787E-03 773 0.256E-01 0.529E-02
DAV: 15 -0.912891902836E+02 -0.10243E-02 -0.36299E-04 704 0.125E-01 0.399E-02
DAV: 16 -0.912903331808E+02 -0.11429E-02 -0.25855E-04 709 0.869E-02 0.123E-02
DAV: 17 -0.912911435601E+02 -0.81038E-03 -0.10168E-04 720 0.485E-02 0.133E-02
DAV: 18 -0.912914342551E+02 -0.29069E-03 -0.23822E-05 560 0.228E-02 0.796E-03
DAV: 19 -0.912915454536E+02 -0.11120E-03 -0.25198E-05 544 0.266E-02 0.384E-03
DAV: 20 -0.912915705036E+02 -0.25050E-04 -0.28114E-06 480 0.102E-02 0.253E-03
DAV: 21 -0.912915840564E+02 -0.13553E-04 -0.30179E-06 437 0.953E-03 0.985E-04
DAV: 22 -0.912915859359E+02 -0.18795E-05 -0.48345E-07 496 0.374E-03
1 F= -.91291586E+02 E0= -.91296722E+02 d E =0.154073E-01