iterations/neb0_image01_iter106_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 0.366023358984E+03 0.36602E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.337170561987E+01 -0.36265E+03 -0.34934E+03 839 0.195E+02
DAV: 3 -0.956428746878E+02 -0.99015E+02 -0.98670E+02 677 0.116E+02
DAV: 4 -0.100160743831E+03 -0.45179E+01 -0.45082E+01 693 0.283E+01
DAV: 5 -0.100251468757E+03 -0.90725E-01 -0.90671E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916729027113E+02 0.85786E+01 -0.31018E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908657082080E+02 0.80719E+00 -0.18131E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904867822450E+02 0.37893E+00 -0.56156E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904032712438E+02 0.83511E-01 -0.13455E-01 712 0.163E+00 0.427E-01
DAV: 10 -0.903980295909E+02 0.52417E-02 -0.44733E-02 712 0.124E+00 0.314E-01
DAV: 11 -0.904018891955E+02 -0.38596E-02 -0.64764E-03 608 0.470E-01 0.143E-01
DAV: 12 -0.904054434267E+02 -0.35542E-02 -0.69077E-03 629 0.487E-01 0.127E-01
DAV: 13 -0.904081507439E+02 -0.27073E-02 -0.14037E-03 848 0.305E-01 0.758E-02
DAV: 14 -0.904110702635E+02 -0.29195E-02 -0.13631E-03 634 0.174E-01 0.564E-02
DAV: 15 -0.904131593506E+02 -0.20891E-02 -0.37922E-04 680 0.117E-01 0.438E-02
DAV: 16 -0.904144918891E+02 -0.13325E-02 -0.67235E-04 661 0.152E-01 0.332E-02
DAV: 17 -0.904152914304E+02 -0.79954E-03 -0.16607E-04 829 0.915E-02 0.195E-02
DAV: 18 -0.904154614024E+02 -0.16997E-03 -0.38317E-05 696 0.316E-02 0.125E-02
DAV: 19 -0.904156991809E+02 -0.23778E-03 -0.61112E-05 633 0.398E-02 0.636E-03
DAV: 20 -0.904157116936E+02 -0.12513E-04 -0.44384E-06 520 0.131E-02 0.639E-03
DAV: 21 -0.904157485608E+02 -0.36867E-04 -0.60173E-06 406 0.152E-02 0.372E-03
DAV: 22 -0.904157660538E+02 -0.17493E-04 -0.42503E-06 477 0.116E-02 0.232E-03
DAV: 23 -0.904157685707E+02 -0.25168E-05 -0.16760E-06 520 0.746E-03
1 F= -.90415769E+02 E0= -.90420899E+02 d E =0.153925E-01