iterations/neb0_image01_iter3_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.422937974654E+04 0.42294E+04 -0.23862E+05 2892 0.117E+03 DAV: 2 -0.430717636215E+03 -0.46601E+04 -0.45568E+04 3366 0.329E+02 DAV: 3 -0.943323560681E+03 -0.51261E+03 -0.51040E+03 3120 0.117E+02 DAV: 4 -0.955524983589E+03 -0.12201E+02 -0.12156E+02 3183 0.195E+01 DAV: 5 -0.955926449950E+03 -0.40147E+00 -0.40093E+00 3201 0.320E+00 0.813E+01 DAV: 6 -0.847652040794E+03 0.10827E+03 -0.47195E+02 3057 0.347E+01 0.377E+01 DAV: 7 -0.847168124895E+03 0.48392E+00 -0.14371E+01 3534 0.605E+00 0.146E+01 DAV: 8 -0.846825767252E+03 0.34236E+00 -0.95005E-01 3165 0.237E+00 0.595E+00 DAV: 9 -0.846776511837E+03 0.49255E-01 -0.42089E-01 3192 0.153E+00 0.872E-01 DAV: 10 -0.846781489639E+03 -0.49778E-02 -0.70378E-02 3129 0.594E-01 0.587E-01 DAV: 11 -0.846780437692E+03 0.10519E-02 -0.68892E-03 3129 0.211E-01 0.326E-01 DAV: 12 -0.846780789333E+03 -0.35164E-03 -0.68221E-03 3102 0.247E-01 0.117E-01 DAV: 13 -0.846783667243E+03 -0.28779E-02 -0.47076E-03 3201 0.224E-01 0.134E-01 DAV: 14 -0.846787632839E+03 -0.39656E-02 -0.29775E-03 3066 0.141E-01 0.919E-02 DAV: 15 -0.846792531266E+03 -0.48984E-02 -0.14203E-03 3066 0.948E-02 0.440E-02 DAV: 16 -0.846794620034E+03 -0.20888E-02 -0.37074E-04 3102 0.513E-02 0.386E-02 DAV: 17 -0.846795627489E+03 -0.10075E-02 -0.27949E-04 3111 0.372E-02 0.274E-02 DAV: 18 -0.846796358840E+03 -0.73135E-03 -0.33283E-05 2535 0.210E-02 0.141E-02 DAV: 19 -0.846796945256E+03 -0.58642E-03 -0.45349E-05 2760 0.220E-02 0.750E-03 DAV: 20 -0.846797038670E+03 -0.93414E-04 -0.30699E-05 2679 0.137E-02 0.661E-03 DAV: 21 -0.846797075941E+03 -0.37271E-04 -0.30024E-06 1995 0.403E-03 0.564E-03 DAV: 22 -0.846797099640E+03 -0.23699E-04 -0.21673E-06 1977 0.324E-03 0.259E-03 DAV: 23 -0.846797111353E+03 -0.11713E-04 -0.15625E-06 1986 0.314E-03 0.111E-03 DAV: 24 -0.846797114439E+03 -0.30860E-05 -0.66110E-07 1986 0.175E-03 1 F= -.84679711E+03 E0= -.84680098E+03 d E =0.115958E-01