iterations/neb0_image05_iter223_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 0.368532741162E+03 0.36853E+03 -0.14305E+04 624 0.799E+02
DAV: 2 0.331406110259E+01 -0.36522E+03 -0.35194E+03 856 0.195E+02
DAV: 3 -0.956099917078E+02 -0.98924E+02 -0.98587E+02 669 0.116E+02
DAV: 4 -0.100109166311E+03 -0.44992E+01 -0.44897E+01 704 0.283E+01
DAV: 5 -0.100198264961E+03 -0.89099E-01 -0.89061E-01 728 0.354E+00 0.222E+01
DAV: 6 -0.916094987856E+02 0.85888E+01 -0.30968E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.907728325609E+02 0.83667E+00 -0.17232E+00 720 0.624E+00 0.483E+00
DAV: 8 -0.903939457704E+02 0.37889E+00 -0.55493E-01 728 0.426E+00 0.163E+00
DAV: 9 -0.903119176401E+02 0.82028E-01 -0.13038E-01 720 0.165E+00 0.433E-01
DAV: 10 -0.903053885305E+02 0.65291E-02 -0.45522E-02 752 0.125E+00 0.318E-01
DAV: 11 -0.903085743510E+02 -0.31858E-02 -0.69949E-03 616 0.539E-01 0.137E-01
DAV: 12 -0.903113128536E+02 -0.27385E-02 -0.69252E-03 616 0.482E-01 0.125E-01
DAV: 13 -0.903140785526E+02 -0.27657E-02 -0.16067E-03 864 0.308E-01 0.805E-02
DAV: 14 -0.903173175107E+02 -0.32390E-02 -0.14397E-03 631 0.164E-01 0.580E-02
DAV: 15 -0.903197037840E+02 -0.23863E-02 -0.40853E-04 696 0.116E-01 0.423E-02
DAV: 16 -0.903215936078E+02 -0.18898E-02 -0.81869E-04 669 0.163E-01 0.373E-02
DAV: 17 -0.903222658737E+02 -0.67227E-03 -0.13474E-04 808 0.840E-02 0.231E-02
DAV: 18 -0.903224418738E+02 -0.17600E-03 -0.60813E-05 685 0.410E-02 0.905E-03
DAV: 19 -0.903227430290E+02 -0.30116E-03 -0.63216E-05 617 0.398E-02 0.951E-03
DAV: 20 -0.903227657183E+02 -0.22689E-04 -0.41118E-06 512 0.146E-02 0.711E-03
DAV: 21 -0.903228085295E+02 -0.42811E-04 -0.13699E-05 412 0.217E-02 0.340E-03
DAV: 22 -0.903228196230E+02 -0.11094E-04 -0.37325E-06 480 0.994E-03 0.264E-03
DAV: 23 -0.903228212445E+02 -0.16215E-05 -0.10579E-06 496 0.633E-03
1 F= -.90322821E+02 E0= -.90327386E+02 d E =0.136956E-01