./iterations/neb0_image04_iter188_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 0.363372750322E+03 0.36337E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.118436269686E+01 -0.36219E+03 -0.34931E+03 858 0.193E+02
DAV: 3 -0.962687397007E+02 -0.97453E+02 -0.97161E+02 693 0.115E+02
DAV: 4 -0.100280665506E+03 -0.40119E+01 -0.40024E+01 696 0.265E+01
DAV: 5 -0.100355508842E+03 -0.74843E-01 -0.74815E-01 728 0.328E+00 0.224E+01
DAV: 6 -0.916424873886E+02 0.87130E+01 -0.31139E+01 682 0.298E+01 0.117E+01
DAV: 7 -0.907789110523E+02 0.86358E+00 -0.17894E+00 696 0.631E+00 0.483E+00
DAV: 8 -0.903691282475E+02 0.40978E+00 -0.56463E-01 712 0.425E+00 0.165E+00
DAV: 9 -0.902742474028E+02 0.94881E-01 -0.12566E-01 712 0.187E+00 0.473E-01
DAV: 10 -0.902650472280E+02 0.92002E-02 -0.29912E-02 717 0.883E-01 0.323E-01
DAV: 11 -0.902669330031E+02 -0.18858E-02 -0.10389E-02 680 0.575E-01 0.203E-01
DAV: 12 -0.902695274067E+02 -0.25944E-02 -0.26182E-03 768 0.465E-01 0.115E-01
DAV: 13 -0.902736438908E+02 -0.41165E-02 -0.24312E-03 609 0.282E-01 0.960E-02
DAV: 14 -0.902778654472E+02 -0.42216E-02 -0.15213E-03 639 0.205E-01 0.377E-02
DAV: 15 -0.902799089423E+02 -0.20435E-02 -0.26164E-04 672 0.812E-02 0.311E-02
DAV: 16 -0.902825132376E+02 -0.26043E-02 -0.50538E-04 756 0.133E-01 0.267E-02
DAV: 17 -0.902829680389E+02 -0.45480E-03 -0.58188E-05 704 0.511E-02 0.204E-02
DAV: 18 -0.902834687512E+02 -0.50071E-03 -0.13888E-04 716 0.725E-02 0.107E-02
DAV: 19 -0.902837564328E+02 -0.28768E-03 -0.32378E-05 591 0.359E-02 0.575E-03
DAV: 20 -0.902838804116E+02 -0.12398E-03 -0.17590E-05 493 0.187E-02 0.273E-03
DAV: 21 -0.902839464337E+02 -0.66022E-04 -0.84300E-06 439 0.119E-02 0.129E-03
DAV: 22 -0.902839603671E+02 -0.13933E-04 -0.27608E-06 488 0.680E-03 0.144E-03
DAV: 23 -0.902839616570E+02 -0.12899E-05 -0.59124E-07 528 0.399E-03
1 F= -.90283962E+02 E0= -.90292497E+02 d E =0.256063E-01