iterations/neb0_image01_iter235_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 0.365002874756E+03 0.36500E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.321045193275E+01 -0.36179E+03 -0.34869E+03 839 0.196E+02
DAV: 3 -0.954842673482E+02 -0.98695E+02 -0.98350E+02 653 0.116E+02
DAV: 4 -0.100193877968E+03 -0.47096E+01 -0.46972E+01 704 0.293E+01
DAV: 5 -0.100287411374E+03 -0.93533E-01 -0.93486E-01 736 0.371E+00 0.221E+01
DAV: 6 -0.916841785306E+02 0.86032E+01 -0.31036E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.908896300527E+02 0.79455E+00 -0.18240E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905140189076E+02 0.37561E+00 -0.55120E-01 704 0.428E+00 0.168E+00
DAV: 9 -0.904305206845E+02 0.83498E-01 -0.13343E-01 720 0.165E+00 0.422E-01
DAV: 10 -0.904258856391E+02 0.46350E-02 -0.46702E-02 712 0.123E+00 0.320E-01
DAV: 11 -0.904298744038E+02 -0.39888E-02 -0.71640E-03 608 0.533E-01 0.126E-01
DAV: 12 -0.904334409969E+02 -0.35666E-02 -0.69658E-03 632 0.472E-01 0.135E-01
DAV: 13 -0.904358274955E+02 -0.23865E-02 -0.17081E-03 869 0.320E-01 0.749E-02
DAV: 14 -0.904389403512E+02 -0.31129E-02 -0.14168E-03 642 0.187E-01 0.661E-02
DAV: 15 -0.904407039975E+02 -0.17636E-02 -0.33167E-04 680 0.110E-01 0.539E-02
DAV: 16 -0.904420806618E+02 -0.13767E-02 -0.97791E-04 669 0.192E-01 0.351E-02
DAV: 17 -0.904428773137E+02 -0.79665E-03 -0.13112E-04 672 0.757E-02 0.320E-02
DAV: 18 -0.904432021409E+02 -0.32483E-03 -0.10329E-04 664 0.535E-02 0.138E-02
DAV: 19 -0.904433522659E+02 -0.15013E-03 -0.60019E-05 661 0.408E-02 0.900E-03
DAV: 20 -0.904433853335E+02 -0.33068E-04 -0.37555E-06 480 0.145E-02 0.933E-03
DAV: 21 -0.904434251647E+02 -0.39831E-04 -0.87037E-06 417 0.181E-02 0.537E-03
DAV: 22 -0.904434307255E+02 -0.55608E-05 -0.62903E-06 488 0.146E-02
1 F= -.90443431E+02 E0= -.90449204E+02 d E =0.173190E-01