./iterations/neb0_image07_iter163_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 0.370586391360E+03 0.37059E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.318277449736E+01 -0.36740E+03 -0.35476E+03 869 0.194E+02
DAV: 3 -0.963584406919E+02 -0.99541E+02 -0.99226E+02 680 0.116E+02
DAV: 4 -0.100991327535E+03 -0.46329E+01 -0.46206E+01 688 0.283E+01
DAV: 5 -0.101087719182E+03 -0.96392E-01 -0.96319E-01 736 0.364E+00 0.225E+01
DAV: 6 -0.925319411282E+02 0.85558E+01 -0.30520E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916891576352E+02 0.84278E+00 -0.17220E+00 712 0.616E+00 0.478E+00
DAV: 8 -0.913192840472E+02 0.36987E+00 -0.52563E-01 728 0.394E+00 0.164E+00
DAV: 9 -0.912370764693E+02 0.82208E-01 -0.13070E-01 728 0.158E+00 0.423E-01
DAV: 10 -0.912284729605E+02 0.86035E-02 -0.40354E-02 757 0.106E+00 0.288E-01
DAV: 11 -0.912326440184E+02 -0.41711E-02 -0.10650E-02 608 0.544E-01 0.134E-01
DAV: 12 -0.912355165241E+02 -0.28725E-02 -0.25540E-03 650 0.270E-01 0.909E-02
DAV: 13 -0.912392250222E+02 -0.37085E-02 -0.11089E-03 639 0.169E-01 0.555E-02
DAV: 14 -0.912419929436E+02 -0.27679E-02 -0.55109E-04 760 0.167E-01 0.321E-02
DAV: 15 -0.912438124438E+02 -0.18195E-02 -0.23984E-04 661 0.956E-02 0.320E-02
DAV: 16 -0.912451995284E+02 -0.13871E-02 -0.17777E-04 685 0.645E-02 0.145E-02
DAV: 17 -0.912458217253E+02 -0.62220E-03 -0.78292E-05 669 0.465E-02 0.117E-02
DAV: 18 -0.912461472099E+02 -0.32548E-03 -0.43248E-05 599 0.320E-02 0.533E-03
DAV: 19 -0.912462078348E+02 -0.60625E-04 -0.47686E-06 464 0.131E-02 0.274E-03
DAV: 20 -0.912462461641E+02 -0.38329E-04 -0.72537E-06 430 0.154E-02 0.278E-03
DAV: 21 -0.912462568067E+02 -0.10643E-04 -0.15849E-06 472 0.829E-03 0.169E-03
DAV: 22 -0.912462594789E+02 -0.26723E-05 -0.10018E-06 444 0.529E-03
1 F= -.91246259E+02 E0= -.91252172E+02 d E =0.177366E-01