./iterations/neb0_image02_iter243_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 0.365768427418E+03 0.36577E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.251010027881E+00 -0.36552E+03 -0.35497E+03 877 0.195E+02
DAV: 3 -0.956661342385E+02 -0.95917E+02 -0.95589E+02 629 0.115E+02
DAV: 4 -0.100210747539E+03 -0.45446E+01 -0.45341E+01 712 0.294E+01
DAV: 5 -0.100301252815E+03 -0.90505E-01 -0.90477E-01 744 0.372E+00 0.222E+01
DAV: 6 -0.916667376814E+02 0.86345E+01 -0.31002E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908532138877E+02 0.81352E+00 -0.18043E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904732816240E+02 0.37993E+00 -0.55695E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903884558365E+02 0.84826E-01 -0.13436E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903837785385E+02 0.46773E-02 -0.48538E-02 712 0.125E+00 0.329E-01
DAV: 11 -0.903874569314E+02 -0.36784E-02 -0.75270E-03 624 0.594E-01 0.119E-01
DAV: 12 -0.903904754471E+02 -0.30185E-02 -0.64772E-03 632 0.411E-01 0.132E-01
DAV: 13 -0.903931700200E+02 -0.26946E-02 -0.18171E-03 861 0.326E-01 0.815E-02
DAV: 14 -0.903962201716E+02 -0.30502E-02 -0.12710E-03 623 0.166E-01 0.680E-02
DAV: 15 -0.903980755181E+02 -0.18553E-02 -0.32812E-04 680 0.106E-01 0.498E-02
DAV: 16 -0.903994906682E+02 -0.14152E-02 -0.93396E-04 672 0.177E-01 0.388E-02
DAV: 17 -0.904000683299E+02 -0.57766E-03 -0.13328E-04 768 0.819E-02 0.242E-02
DAV: 18 -0.904003327138E+02 -0.26438E-03 -0.79322E-05 669 0.450E-02 0.711E-03
DAV: 19 -0.904005577644E+02 -0.22505E-03 -0.31647E-05 569 0.257E-02 0.525E-03
DAV: 20 -0.904005996096E+02 -0.41845E-04 -0.32233E-06 504 0.113E-02 0.483E-03
DAV: 21 -0.904006528138E+02 -0.53204E-04 -0.11337E-05 417 0.176E-02 0.319E-03
DAV: 22 -0.904006575972E+02 -0.47833E-05 -0.30656E-06 504 0.102E-02
1 F= -.90400658E+02 E0= -.90407668E+02 d E =0.210310E-01