./iterations/neb0_image04_iter281_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 0.366355872434E+03 0.36636E+03 -0.14310E+04 624 0.799E+02
DAV: 2 0.100166575141E+01 -0.36535E+03 -0.35372E+03 858 0.195E+02
DAV: 3 -0.960259917717E+02 -0.97028E+02 -0.96731E+02 656 0.116E+02
DAV: 4 -0.100401002069E+03 -0.43750E+01 -0.43663E+01 704 0.282E+01
DAV: 5 -0.100487036490E+03 -0.86034E-01 -0.86007E-01 728 0.353E+00 0.224E+01
DAV: 6 -0.917008650562E+02 0.87862E+01 -0.31525E+01 669 0.301E+01 0.118E+01
DAV: 7 -0.908425736211E+02 0.85829E+00 -0.18351E+00 720 0.662E+00 0.486E+00
DAV: 8 -0.904304609976E+02 0.41211E+00 -0.53890E-01 696 0.454E+00 0.180E+00
DAV: 9 -0.903398382545E+02 0.90623E-01 -0.16245E-01 720 0.214E+00 0.586E-01
DAV: 10 -0.903248598400E+02 0.14978E-01 -0.35225E-02 712 0.102E+00 0.351E-01
DAV: 11 -0.903266493007E+02 -0.17895E-02 -0.15069E-02 672 0.627E-01 0.243E-01
DAV: 12 -0.903295044082E+02 -0.28551E-02 -0.32280E-03 664 0.479E-01 0.153E-01
DAV: 13 -0.903325666869E+02 -0.30623E-02 -0.30303E-03 629 0.386E-01 0.121E-01
DAV: 14 -0.903354802455E+02 -0.29136E-02 -0.21437E-03 743 0.300E-01 0.556E-02
DAV: 15 -0.903382640583E+02 -0.27838E-02 -0.74048E-04 653 0.132E-01 0.502E-02
DAV: 16 -0.903406321298E+02 -0.23681E-02 -0.56918E-04 828 0.173E-01 0.313E-02
DAV: 17 -0.903417790179E+02 -0.11469E-02 -0.21987E-04 672 0.726E-02 0.306E-02
DAV: 18 -0.903422988395E+02 -0.51982E-03 -0.67385E-05 725 0.580E-02 0.158E-02
DAV: 19 -0.903427462031E+02 -0.44736E-03 -0.13935E-04 640 0.708E-02 0.145E-02
DAV: 20 -0.903428478561E+02 -0.10165E-03 -0.16992E-05 496 0.337E-02 0.783E-03
DAV: 21 -0.903429154005E+02 -0.67544E-04 -0.33515E-05 559 0.309E-02 0.586E-03
DAV: 22 -0.903429469897E+02 -0.31589E-04 -0.55348E-06 464 0.187E-02 0.234E-03
DAV: 23 -0.903429543471E+02 -0.73574E-05 -0.40217E-06 514 0.106E-02
1 F= -.90342954E+02 E0= -.90351146E+02 d E =0.245748E-01