iterations/neb0_image09_iter165_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 0.374076872345E+03 0.37408E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.327493434144E+01 -0.37080E+03 -0.35801E+03 869 0.196E+02
DAV: 3 -0.967061070462E+02 -0.99981E+02 -0.99652E+02 661 0.117E+02
DAV: 4 -0.101248075040E+03 -0.45420E+01 -0.45313E+01 720 0.287E+01
DAV: 5 -0.101337222143E+03 -0.89147E-01 -0.89108E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926740565502E+02 0.86632E+01 -0.30968E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918082960117E+02 0.86576E+00 -0.17204E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914327881184E+02 0.37551E+00 -0.54181E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913509201293E+02 0.81868E-01 -0.13145E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.913425753606E+02 0.83448E-02 -0.43902E-02 776 0.110E+00 0.299E-01
DAV: 11 -0.913468445309E+02 -0.42692E-02 -0.11641E-02 616 0.563E-01 0.131E-01
DAV: 12 -0.913499932791E+02 -0.31487E-02 -0.27629E-03 634 0.245E-01 0.107E-01
DAV: 13 -0.913535895812E+02 -0.35963E-02 -0.12344E-03 661 0.189E-01 0.449E-02
DAV: 14 -0.913568555217E+02 -0.32659E-02 -0.70347E-04 664 0.151E-01 0.348E-02
DAV: 15 -0.913582445545E+02 -0.13890E-02 -0.14368E-04 744 0.789E-02 0.330E-02
DAV: 16 -0.913597095041E+02 -0.14649E-02 -0.30928E-04 645 0.868E-02 0.153E-02
DAV: 17 -0.913601433202E+02 -0.43382E-03 -0.58774E-05 688 0.516E-02 0.122E-02
DAV: 18 -0.913603694546E+02 -0.22613E-03 -0.36525E-05 568 0.272E-02 0.897E-03
DAV: 19 -0.913604328377E+02 -0.63383E-04 -0.86840E-06 496 0.164E-02 0.418E-03
DAV: 20 -0.913604624111E+02 -0.29573E-04 -0.60873E-06 432 0.160E-02 0.154E-03
DAV: 21 -0.913604805278E+02 -0.18117E-04 -0.31900E-06 445 0.816E-03 0.239E-03
DAV: 22 -0.913604837035E+02 -0.31757E-05 -0.51629E-07 496 0.422E-03
1 F= -.91360484E+02 E0= -.91365288E+02 d E =0.144117E-01