./iterations/neb0_image01_iter172_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 0.365640022706E+03 0.36564E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.318486670065E+01 -0.36246E+03 -0.34955E+03 839 0.196E+02
DAV: 3 -0.955862732587E+02 -0.98771E+02 -0.98424E+02 669 0.116E+02
DAV: 4 -0.100218656525E+03 -0.46324E+01 -0.46213E+01 680 0.287E+01
DAV: 5 -0.100312132304E+03 -0.93476E-01 -0.93424E-01 728 0.363E+00 0.222E+01
DAV: 6 -0.916828225132E+02 0.86293E+01 -0.31019E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908811492859E+02 0.80167E+00 -0.18246E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905066989684E+02 0.37445E+00 -0.55029E-01 704 0.428E+00 0.167E+00
DAV: 9 -0.904248800275E+02 0.81819E-01 -0.13075E-01 720 0.168E+00 0.424E-01
DAV: 10 -0.904203481936E+02 0.45318E-02 -0.47449E-02 720 0.124E+00 0.325E-01
DAV: 11 -0.904246065672E+02 -0.42584E-02 -0.87192E-03 608 0.625E-01 0.116E-01
DAV: 12 -0.904277223778E+02 -0.31158E-02 -0.61548E-03 629 0.418E-01 0.129E-01
DAV: 13 -0.904302851293E+02 -0.25628E-02 -0.15158E-03 853 0.300E-01 0.778E-02
DAV: 14 -0.904336055345E+02 -0.33204E-02 -0.16586E-03 639 0.213E-01 0.755E-02
DAV: 15 -0.904349991776E+02 -0.13936E-02 -0.28404E-04 816 0.122E-01 0.558E-02
DAV: 16 -0.904363571952E+02 -0.13580E-02 -0.11403E-03 661 0.209E-01 0.397E-02
DAV: 17 -0.904371857596E+02 -0.82856E-03 -0.16888E-04 722 0.867E-02 0.327E-02
DAV: 18 -0.904374294717E+02 -0.24371E-03 -0.38028E-05 696 0.315E-02 0.251E-02
DAV: 19 -0.904377036385E+02 -0.27417E-03 -0.11635E-04 633 0.666E-02 0.781E-03
DAV: 20 -0.904377348025E+02 -0.31164E-04 -0.24224E-05 656 0.302E-02 0.888E-03
DAV: 21 -0.904377706317E+02 -0.35829E-04 -0.67142E-06 410 0.152E-02 0.865E-03
DAV: 22 -0.904378009024E+02 -0.30271E-04 -0.63107E-06 468 0.179E-02 0.483E-03
DAV: 23 -0.904378049282E+02 -0.40258E-05 -0.91055E-06 520 0.167E-02
1 F= -.90437805E+02 E0= -.90444112E+02 d E =0.189203E-01