./iterations/neb0_image07_iter164_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 0.370594049103E+03 0.37059E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.317849452264E+01 -0.36742E+03 -0.35478E+03 869 0.194E+02
DAV: 3 -0.963641717834E+02 -0.99543E+02 -0.99228E+02 680 0.116E+02
DAV: 4 -0.100996228317E+03 -0.46321E+01 -0.46198E+01 688 0.283E+01
DAV: 5 -0.101092539515E+03 -0.96311E-01 -0.96238E-01 736 0.364E+00 0.225E+01
DAV: 6 -0.925335664128E+02 0.85590E+01 -0.30520E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916890554893E+02 0.84451E+00 -0.17219E+00 712 0.615E+00 0.478E+00
DAV: 8 -0.913188926648E+02 0.37016E+00 -0.52564E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.912366064179E+02 0.82286E-01 -0.13067E-01 728 0.157E+00 0.423E-01
DAV: 10 -0.912279854447E+02 0.86210E-02 -0.40428E-02 765 0.106E+00 0.288E-01
DAV: 11 -0.912321382061E+02 -0.41528E-02 -0.10547E-02 608 0.542E-01 0.133E-01
DAV: 12 -0.912350344667E+02 -0.28963E-02 -0.25581E-03 650 0.270E-01 0.918E-02
DAV: 13 -0.912387352273E+02 -0.37008E-02 -0.10819E-03 639 0.168E-01 0.554E-02
DAV: 14 -0.912415126051E+02 -0.27774E-02 -0.55135E-04 744 0.163E-01 0.320E-02
DAV: 15 -0.912433417463E+02 -0.18291E-02 -0.22888E-04 661 0.952E-02 0.318E-02
DAV: 16 -0.912447693029E+02 -0.14276E-02 -0.18691E-04 669 0.649E-02 0.135E-02
DAV: 17 -0.912453436826E+02 -0.57438E-03 -0.69680E-05 685 0.452E-02 0.116E-02
DAV: 18 -0.912456752745E+02 -0.33159E-03 -0.43969E-05 586 0.308E-02 0.504E-03
DAV: 19 -0.912457264478E+02 -0.51173E-04 -0.40670E-06 496 0.118E-02 0.265E-03
DAV: 20 -0.912457734023E+02 -0.46955E-04 -0.81734E-06 409 0.159E-02 0.269E-03
DAV: 21 -0.912457801498E+02 -0.67474E-05 -0.14210E-06 488 0.768E-03
1 F= -.91245780E+02 E0= -.91251714E+02 d E =0.178027E-01