iterations/neb0_image04_iter43_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 0.423724715428E+04 0.42372E+04 -0.23866E+05 2892 0.117E+03 DAV: 2 -0.426499190084E+03 -0.46637E+04 -0.45672E+04 3348 0.329E+02 DAV: 3 -0.942381718623E+03 -0.51588E+03 -0.51362E+03 3120 0.118E+02 DAV: 4 -0.954791818302E+03 -0.12410E+02 -0.12363E+02 3192 0.197E+01 DAV: 5 -0.955201296067E+03 -0.40948E+00 -0.40891E+00 3192 0.322E+00 0.813E+01 DAV: 6 -0.847070908456E+03 0.10813E+03 -0.47060E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.846609904741E+03 0.46100E+00 -0.14415E+01 3543 0.609E+00 0.146E+01 DAV: 8 -0.846278714690E+03 0.33119E+00 -0.97630E-01 3165 0.238E+00 0.594E+00 DAV: 9 -0.846234463513E+03 0.44251E-01 -0.41200E-01 3192 0.153E+00 0.858E-01 DAV: 10 -0.846240785413E+03 -0.63219E-02 -0.74255E-02 3138 0.610E-01 0.613E-01 DAV: 11 -0.846240303605E+03 0.48181E-03 -0.64974E-03 3111 0.209E-01 0.353E-01 DAV: 12 -0.846240989063E+03 -0.68546E-03 -0.71147E-03 3093 0.250E-01 0.120E-01 DAV: 13 -0.846244128994E+03 -0.31399E-02 -0.45534E-03 3192 0.219E-01 0.138E-01 DAV: 14 -0.846248255541E+03 -0.41265E-02 -0.31540E-03 3075 0.149E-01 0.984E-02 DAV: 15 -0.846252923893E+03 -0.46684E-02 -0.12671E-03 3129 0.894E-02 0.379E-02 DAV: 16 -0.846255331362E+03 -0.24075E-02 -0.41835E-04 3084 0.516E-02 0.388E-02 DAV: 17 -0.846256381876E+03 -0.10505E-02 -0.28455E-04 3156 0.411E-02 0.287E-02 DAV: 18 -0.846257039805E+03 -0.65793E-03 -0.36183E-05 2679 0.205E-02 0.151E-02 DAV: 19 -0.846257666498E+03 -0.62669E-03 -0.41343E-05 2688 0.226E-02 0.742E-03 DAV: 20 -0.846257782593E+03 -0.11609E-03 -0.37524E-05 2805 0.153E-02 0.735E-03 DAV: 21 -0.846257827520E+03 -0.44927E-04 -0.35176E-06 2004 0.461E-03 0.630E-03 DAV: 22 -0.846257852185E+03 -0.24665E-04 -0.24684E-06 1986 0.346E-03 0.287E-03 DAV: 23 -0.846257864472E+03 -0.12287E-04 -0.17277E-06 1977 0.323E-03 0.128E-03 DAV: 24 -0.846257866986E+03 -0.25140E-05 -0.69870E-07 1995 0.184E-03 1 F= -.84625787E+03 E0= -.84626173E+03 d E =0.115959E-01