./iterations/neb0_image02_iter46_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 0.368452419173E+03 0.36845E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.469479373178E+01 -0.36376E+03 -0.34897E+03 834 0.195E+02
DAV: 3 -0.956493597967E+02 -0.10034E+03 -0.10001E+03 680 0.117E+02
DAV: 4 -0.100178199792E+03 -0.45288E+01 -0.45189E+01 696 0.283E+01
DAV: 5 -0.100265650787E+03 -0.87451E-01 -0.87410E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.916447599094E+02 0.86209E+01 -0.30866E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908138558661E+02 0.83090E+00 -0.18326E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904256812820E+02 0.38817E+00 -0.55744E-01 688 0.426E+00 0.170E+00
DAV: 9 -0.903344002051E+02 0.91281E-01 -0.14251E-01 696 0.168E+00 0.436E-01
DAV: 10 -0.903277688508E+02 0.66314E-02 -0.44408E-02 709 0.126E+00 0.315E-01
DAV: 11 -0.903313788130E+02 -0.36100E-02 -0.70491E-03 605 0.470E-01 0.152E-01
DAV: 12 -0.903346572879E+02 -0.32785E-02 -0.64714E-03 621 0.459E-01 0.122E-01
DAV: 13 -0.903376111874E+02 -0.29539E-02 -0.10375E-03 781 0.288E-01 0.778E-02
DAV: 14 -0.903407936895E+02 -0.31825E-02 -0.17111E-03 629 0.203E-01 0.598E-02
DAV: 15 -0.903432604557E+02 -0.24668E-02 -0.54587E-04 781 0.165E-01 0.360E-02
DAV: 16 -0.903443407478E+02 -0.10803E-02 -0.38392E-04 672 0.103E-01 0.327E-02
DAV: 17 -0.903453219634E+02 -0.98122E-03 -0.14334E-04 652 0.702E-02 0.218E-02
DAV: 18 -0.903455429513E+02 -0.22099E-03 -0.76847E-05 688 0.493E-02 0.995E-03
DAV: 19 -0.903458013784E+02 -0.25843E-03 -0.28878E-05 532 0.283E-02 0.366E-03
DAV: 20 -0.903458674238E+02 -0.66045E-04 -0.76138E-06 480 0.155E-02 0.360E-03
DAV: 21 -0.903459061022E+02 -0.38678E-04 -0.10579E-05 439 0.186E-02 0.754E-03
DAV: 22 -0.903459174382E+02 -0.11336E-04 -0.33079E-06 480 0.121E-02 0.560E-03
DAV: 23 -0.903459203746E+02 -0.29363E-05 -0.34575E-06 440 0.112E-02
1 F= -.90345920E+02 E0= -.90351818E+02 d E =0.176920E-01