iterations/neb0_image07_iter18_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 0.365345226436E+03 0.36535E+03 -0.14265E+04 632 0.799E+02
DAV: 2 0.200349800594E+01 -0.36334E+03 -0.35143E+03 869 0.194E+02
DAV: 3 -0.956657099691E+02 -0.97669E+02 -0.97318E+02 688 0.115E+02
DAV: 4 -0.998228306632E+02 -0.41571E+01 -0.41438E+01 728 0.269E+01
DAV: 5 -0.999054461956E+02 -0.82616E-01 -0.82580E-01 712 0.340E+00 0.219E+01
DAV: 6 -0.913802365443E+02 0.85252E+01 -0.30880E+01 712 0.302E+01 0.114E+01
DAV: 7 -0.905765693586E+02 0.80367E+00 -0.16831E+00 720 0.652E+00 0.475E+00
DAV: 8 -0.902112865442E+02 0.36528E+00 -0.63768E-01 696 0.433E+00 0.167E+00
DAV: 9 -0.901282186096E+02 0.83068E-01 -0.12862E-01 717 0.166E+00 0.474E-01
DAV: 10 -0.901181170140E+02 0.10102E-01 -0.28170E-02 712 0.776E-01 0.278E-01
DAV: 11 -0.901222782273E+02 -0.41612E-02 -0.13685E-02 602 0.734E-01 0.201E-01
DAV: 12 -0.901229518863E+02 -0.67366E-03 -0.35247E-03 712 0.387E-01 0.109E-01
DAV: 13 -0.901277700823E+02 -0.48182E-02 -0.50095E-03 622 0.437E-01 0.111E-01
DAV: 14 -0.901292389877E+02 -0.14689E-02 -0.97443E-04 816 0.236E-01 0.619E-02
DAV: 15 -0.901317119308E+02 -0.24729E-02 -0.13412E-03 714 0.230E-01 0.430E-02
DAV: 16 -0.901334832773E+02 -0.17713E-02 -0.24181E-04 802 0.109E-01 0.250E-02
DAV: 17 -0.901344279609E+02 -0.94468E-03 -0.10993E-04 677 0.497E-02 0.102E-02
DAV: 18 -0.901351330249E+02 -0.70506E-03 -0.70608E-05 588 0.353E-02 0.620E-03
DAV: 19 -0.901353150163E+02 -0.18199E-03 -0.13287E-05 485 0.185E-02 0.529E-03
DAV: 20 -0.901353796009E+02 -0.64585E-04 -0.79894E-06 453 0.111E-02 0.357E-03
DAV: 21 -0.901354146312E+02 -0.35030E-04 -0.66124E-06 430 0.181E-02 0.211E-03
DAV: 22 -0.901354231986E+02 -0.85674E-05 -0.28611E-06 466 0.856E-03
1 F= -.90135423E+02 E0= -.90140253E+02 d E =0.144907E-01