iterations/neb0_image09_iter78_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 0.422399652241E+04 0.42240E+04 -0.23877E+05 2901 0.117E+03 DAV: 2 -0.430373629767E+03 -0.46544E+04 -0.45559E+04 3366 0.329E+02 DAV: 3 -0.943028087767E+03 -0.51265E+03 -0.51049E+03 3120 0.117E+02 DAV: 4 -0.955252143176E+03 -0.12224E+02 -0.12179E+02 3183 0.195E+01 DAV: 5 -0.955655010518E+03 -0.40287E+00 -0.40234E+00 3183 0.321E+00 0.813E+01 DAV: 6 -0.847631718939E+03 0.10802E+03 -0.47169E+02 3048 0.348E+01 0.376E+01 DAV: 7 -0.847085960461E+03 0.54576E+00 -0.14663E+01 3525 0.622E+00 0.147E+01 DAV: 8 -0.846737842030E+03 0.34812E+00 -0.16373E+00 3246 0.353E+00 0.608E+00 DAV: 9 -0.846643763233E+03 0.94079E-01 -0.67817E-01 3210 0.197E+00 0.137E+00 DAV: 10 -0.846631507057E+03 0.12256E-01 -0.16830E-01 3363 0.120E+00 0.143E+00 DAV: 11 -0.846602817491E+03 0.28690E-01 -0.97267E-02 3714 0.854E-01 0.102E+00 DAV: 12 -0.846599079153E+03 0.37383E-02 -0.89000E-02 3723 0.550E-01 0.675E-01 DAV: 13 -0.846599531336E+03 -0.45218E-03 -0.14018E-01 3705 0.840E-01 0.108E+00 DAV: 14 -0.846584026133E+03 0.15505E-01 -0.88494E-02 3759 0.536E-01 0.314E-01 DAV: 15 -0.846584828143E+03 -0.80201E-03 -0.25436E-02 3048 0.449E-01 0.474E-01 DAV: 16 -0.846582607091E+03 0.22211E-02 -0.94605E-03 3300 0.225E-01 0.340E-01 DAV: 17 -0.846582560267E+03 0.46824E-04 -0.41904E-03 3165 0.144E-01 0.194E-01 DAV: 18 -0.846583979614E+03 -0.14193E-02 -0.19467E-03 3255 0.104E-01 0.110E-01 DAV: 19 -0.846586826213E+03 -0.28466E-02 -0.18473E-03 3102 0.126E-01 0.769E-02 DAV: 20 -0.846590185846E+03 -0.33596E-02 -0.11847E-03 3066 0.815E-02 0.727E-02 DAV: 21 -0.846591969716E+03 -0.17839E-02 -0.56489E-04 3210 0.640E-02 0.517E-02 DAV: 22 -0.846593388557E+03 -0.14188E-02 -0.26204E-04 3084 0.340E-02 0.486E-02 DAV: 23 -0.846594513717E+03 -0.11252E-02 -0.12030E-04 2895 0.302E-02 0.219E-02 DAV: 24 -0.846595012878E+03 -0.49916E-03 -0.76654E-05 2796 0.244E-02 0.106E-02 DAV: 25 -0.846595289987E+03 -0.27711E-03 -0.32161E-05 2382 0.158E-02 0.113E-02 DAV: 26 -0.846595391836E+03 -0.10185E-03 -0.11510E-05 1986 0.907E-03 0.994E-03 DAV: 27 -0.846595432940E+03 -0.41104E-04 -0.71882E-06 1995 0.634E-03 0.390E-03 DAV: 28 -0.846595485674E+03 -0.52734E-04 -0.44441E-06 1941 0.571E-03 0.276E-03 DAV: 29 -0.846595491343E+03 -0.56689E-05 -0.21502E-06 2013 0.336E-03 1 F= -.84659549E+03 E0= -.84664535E+03 d E =0.149568E+00