iterations/neb0_image01_iter218_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 0.365472229551E+03 0.36547E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.322024309166E+01 -0.36225E+03 -0.34920E+03 839 0.196E+02
DAV: 3 -0.954228325664E+02 -0.98643E+02 -0.98298E+02 645 0.116E+02
DAV: 4 -0.100220600415E+03 -0.47978E+01 -0.47861E+01 704 0.297E+01
DAV: 5 -0.100316550199E+03 -0.95950E-01 -0.95903E-01 728 0.376E+00 0.222E+01
DAV: 6 -0.916937543273E+02 0.86228E+01 -0.30968E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908889656583E+02 0.80479E+00 -0.18228E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905125095825E+02 0.37646E+00 -0.55415E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904299618869E+02 0.82548E-01 -0.13279E-01 720 0.165E+00 0.423E-01
DAV: 10 -0.904253868871E+02 0.45750E-02 -0.47034E-02 720 0.124E+00 0.321E-01
DAV: 11 -0.904294038901E+02 -0.40170E-02 -0.74404E-03 608 0.549E-01 0.124E-01
DAV: 12 -0.904329296106E+02 -0.35257E-02 -0.68822E-03 629 0.466E-01 0.135E-01
DAV: 13 -0.904353075569E+02 -0.23779E-02 -0.17625E-03 861 0.321E-01 0.748E-02
DAV: 14 -0.904384244211E+02 -0.31169E-02 -0.14255E-03 642 0.187E-01 0.675E-02
DAV: 15 -0.904401294701E+02 -0.17050E-02 -0.31594E-04 680 0.110E-01 0.547E-02
DAV: 16 -0.904415260268E+02 -0.13966E-02 -0.10471E-03 669 0.198E-01 0.370E-02
DAV: 17 -0.904423143573E+02 -0.78833E-03 -0.13494E-04 661 0.778E-02 0.330E-02
DAV: 18 -0.904426414778E+02 -0.32712E-03 -0.10329E-04 672 0.527E-02 0.152E-02
DAV: 19 -0.904427928391E+02 -0.15136E-03 -0.68325E-05 645 0.441E-02 0.903E-03
DAV: 20 -0.904428270565E+02 -0.34217E-04 -0.46244E-06 504 0.152E-02 0.945E-03
DAV: 21 -0.904428659964E+02 -0.38940E-04 -0.80063E-06 409 0.165E-02 0.571E-03
DAV: 22 -0.904428723323E+02 -0.63359E-05 -0.62354E-06 480 0.153E-02
1 F= -.90442872E+02 E0= -.90448445E+02 d E =0.167175E-01