iterations/neb0_image02_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 0.366766661195E+03 0.36677E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.178019239870E+01 -0.36499E+03 -0.35368E+03 861 0.195E+02
DAV: 3 -0.957706358179E+02 -0.97551E+02 -0.97215E+02 656 0.116E+02
DAV: 4 -0.100235019054E+03 -0.44644E+01 -0.44541E+01 720 0.286E+01
DAV: 5 -0.100321869603E+03 -0.86851E-01 -0.86822E-01 744 0.360E+00 0.222E+01
DAV: 6 -0.916727564377E+02 0.86491E+01 -0.31056E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908600470956E+02 0.81271E+00 -0.18399E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904791616165E+02 0.38089E+00 -0.55138E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903919450940E+02 0.87217E-01 -0.13747E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903865020448E+02 0.54430E-02 -0.50293E-02 712 0.129E+00 0.332E-01
DAV: 11 -0.903900787762E+02 -0.35767E-02 -0.79297E-03 616 0.584E-01 0.126E-01
DAV: 12 -0.903932118539E+02 -0.31331E-02 -0.73466E-03 648 0.443E-01 0.139E-01
DAV: 13 -0.903956762594E+02 -0.24644E-02 -0.20175E-03 864 0.353E-01 0.822E-02
DAV: 14 -0.903988948370E+02 -0.32186E-02 -0.14697E-03 623 0.181E-01 0.718E-02
DAV: 15 -0.904007552648E+02 -0.18604E-02 -0.32773E-04 688 0.106E-01 0.556E-02
DAV: 16 -0.904022544513E+02 -0.14992E-02 -0.11275E-03 672 0.199E-01 0.408E-02
DAV: 17 -0.904029754682E+02 -0.72102E-03 -0.15497E-04 704 0.860E-02 0.293E-02
DAV: 18 -0.904032906224E+02 -0.31515E-03 -0.92286E-05 672 0.461E-02 0.118E-02
DAV: 19 -0.904034690788E+02 -0.17846E-03 -0.52422E-05 658 0.376E-02 0.773E-03
DAV: 20 -0.904034976401E+02 -0.28561E-04 -0.48438E-06 520 0.157E-02 0.634E-03
DAV: 21 -0.904035483188E+02 -0.50679E-04 -0.10201E-05 417 0.166E-02 0.388E-03
DAV: 22 -0.904035567827E+02 -0.84639E-05 -0.48580E-06 488 0.133E-02
1 F= -.90403557E+02 E0= -.90410050E+02 d E =0.194809E-01