iterations/neb0_image01_iter6_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 0.422860660260E+04 0.42286E+04 -0.23861E+05 2892 0.117E+03 DAV: 2 -0.430819197504E+03 -0.46594E+04 -0.45561E+04 3360 0.329E+02 DAV: 3 -0.943337930984E+03 -0.51252E+03 -0.51031E+03 3120 0.117E+02 DAV: 4 -0.955549032016E+03 -0.12211E+02 -0.12166E+02 3183 0.195E+01 DAV: 5 -0.955951070219E+03 -0.40204E+00 -0.40150E+00 3201 0.320E+00 0.812E+01 DAV: 6 -0.847803691109E+03 0.10815E+03 -0.47170E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.847338633276E+03 0.46506E+00 -0.14383E+01 3552 0.605E+00 0.146E+01 DAV: 8 -0.847002523665E+03 0.33611E+00 -0.96298E-01 3174 0.237E+00 0.593E+00 DAV: 9 -0.846957328276E+03 0.45195E-01 -0.41493E-01 3183 0.150E+00 0.860E-01 DAV: 10 -0.846963348721E+03 -0.60204E-02 -0.68052E-02 3129 0.582E-01 0.589E-01 DAV: 11 -0.846962874512E+03 0.47421E-03 -0.63558E-03 3129 0.208E-01 0.328E-01 DAV: 12 -0.846963874824E+03 -0.10003E-02 -0.70584E-03 3075 0.247E-01 0.116E-01 DAV: 13 -0.846966920422E+03 -0.30456E-02 -0.43623E-03 3219 0.210E-01 0.134E-01 DAV: 14 -0.846970754338E+03 -0.38339E-02 -0.26890E-03 3066 0.135E-01 0.929E-02 DAV: 15 -0.846975817629E+03 -0.50633E-02 -0.13248E-03 3048 0.933E-02 0.393E-02 DAV: 16 -0.846977848823E+03 -0.20312E-02 -0.41006E-04 3129 0.481E-02 0.377E-02 DAV: 17 -0.846978759999E+03 -0.91118E-03 -0.17373E-04 3102 0.313E-02 0.243E-02 DAV: 18 -0.846979531780E+03 -0.77178E-03 -0.28131E-05 2373 0.172E-02 0.131E-02 DAV: 19 -0.846980097742E+03 -0.56596E-03 -0.35810E-05 2616 0.201E-02 0.817E-03 DAV: 20 -0.846980210832E+03 -0.11309E-03 -0.36379E-05 2733 0.162E-02 0.681E-03 DAV: 21 -0.846980240900E+03 -0.30068E-04 -0.45184E-06 2022 0.499E-03 0.572E-03 DAV: 22 -0.846980259123E+03 -0.18223E-04 -0.18910E-06 1977 0.312E-03 0.314E-03 DAV: 23 -0.846980271476E+03 -0.12353E-04 -0.16530E-06 1968 0.324E-03 0.149E-03 DAV: 24 -0.846980274047E+03 -0.25712E-05 -0.77727E-07 2004 0.184E-03 1 F= -.84698027E+03 E0= -.84698414E+03 d E =0.115958E-01