./iterations/neb0_image02_iter240_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 0.365904945095E+03 0.36590E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.276634873365E+00 -0.36563E+03 -0.35512E+03 877 0.195E+02
DAV: 3 -0.956662357927E+02 -0.95943E+02 -0.95614E+02 629 0.115E+02
DAV: 4 -0.100214414297E+03 -0.45482E+01 -0.45376E+01 712 0.294E+01
DAV: 5 -0.100304751257E+03 -0.90337E-01 -0.90304E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916683946735E+02 0.86364E+01 -0.30941E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908528626635E+02 0.81553E+00 -0.18121E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904728748843E+02 0.37999E+00 -0.55693E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903879784071E+02 0.84896E-01 -0.13465E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903832518284E+02 0.47266E-02 -0.48552E-02 704 0.125E+00 0.328E-01
DAV: 11 -0.903869034556E+02 -0.36516E-02 -0.75348E-03 632 0.590E-01 0.120E-01
DAV: 12 -0.903899310313E+02 -0.30276E-02 -0.65203E-03 632 0.413E-01 0.132E-01
DAV: 13 -0.903926164982E+02 -0.26855E-02 -0.18253E-03 869 0.328E-01 0.812E-02
DAV: 14 -0.903956817424E+02 -0.30652E-02 -0.12801E-03 623 0.167E-01 0.681E-02
DAV: 15 -0.903975190756E+02 -0.18373E-02 -0.32460E-04 680 0.106E-01 0.499E-02
DAV: 16 -0.903989626608E+02 -0.14436E-02 -0.94691E-04 672 0.179E-01 0.391E-02
DAV: 17 -0.903995462989E+02 -0.58364E-03 -0.13381E-04 768 0.822E-02 0.246E-02
DAV: 18 -0.903998317591E+02 -0.28546E-03 -0.81991E-05 672 0.453E-02 0.742E-03
DAV: 19 -0.904000386874E+02 -0.20693E-03 -0.31824E-05 566 0.263E-02 0.572E-03
DAV: 20 -0.904000787774E+02 -0.40090E-04 -0.33887E-06 504 0.118E-02 0.515E-03
DAV: 21 -0.904001318175E+02 -0.53040E-04 -0.11628E-05 417 0.181E-02 0.313E-03
DAV: 22 -0.904001363952E+02 -0.45777E-05 -0.34111E-06 504 0.107E-02
1 F= -.90400136E+02 E0= -.90407028E+02 d E =0.206758E-01