iterations/neb0_image04_iter19_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 0.423016049566E+04 0.42302E+04 -0.23858E+05 2892 0.117E+03 DAV: 2 -0.428496561832E+03 -0.46587E+04 -0.45645E+04 3360 0.329E+02 DAV: 3 -0.941824354727E+03 -0.51333E+03 -0.51106E+03 3120 0.117E+02 DAV: 4 -0.954129903802E+03 -0.12306E+02 -0.12258E+02 3192 0.196E+01 DAV: 5 -0.954534999451E+03 -0.40510E+00 -0.40452E+00 3192 0.321E+00 0.810E+01 DAV: 6 -0.846193018371E+03 0.10834E+03 -0.47179E+02 3057 0.348E+01 0.375E+01 DAV: 7 -0.845759853787E+03 0.43316E+00 -0.14487E+01 3543 0.612E+00 0.146E+01 DAV: 8 -0.845437891482E+03 0.32196E+00 -0.95164E-01 3174 0.235E+00 0.600E+00 DAV: 9 -0.845397992389E+03 0.39899E-01 -0.42097E-01 3192 0.151E+00 0.859E-01 DAV: 10 -0.845402492949E+03 -0.45006E-02 -0.69344E-02 3129 0.589E-01 0.593E-01 DAV: 11 -0.845401029801E+03 0.14631E-02 -0.65001E-03 3111 0.210E-01 0.332E-01 DAV: 12 -0.845400122320E+03 0.90748E-03 -0.66700E-03 3066 0.243E-01 0.115E-01 DAV: 13 -0.845401658804E+03 -0.15365E-02 -0.39795E-03 3129 0.208E-01 0.132E-01 DAV: 14 -0.845404816385E+03 -0.31576E-02 -0.27394E-03 3048 0.140E-01 0.931E-02 DAV: 15 -0.845409567033E+03 -0.47506E-02 -0.12937E-03 3093 0.101E-01 0.410E-02 DAV: 16 -0.845411531640E+03 -0.19646E-02 -0.44088E-04 3111 0.519E-02 0.367E-02 DAV: 17 -0.845412504594E+03 -0.97295E-03 -0.18092E-04 3129 0.313E-02 0.238E-02 DAV: 18 -0.845413299608E+03 -0.79501E-03 -0.27640E-05 2382 0.175E-02 0.119E-02 DAV: 19 -0.845413823790E+03 -0.52418E-03 -0.32178E-05 2562 0.194E-02 0.718E-03 DAV: 20 -0.845413940231E+03 -0.11644E-03 -0.32897E-05 2697 0.151E-02 0.680E-03 DAV: 21 -0.845413970230E+03 -0.29998E-04 -0.40758E-06 2031 0.472E-03 0.570E-03 DAV: 22 -0.845413989023E+03 -0.18793E-04 -0.18824E-06 1977 0.293E-03 0.295E-03 DAV: 23 -0.845414003798E+03 -0.14775E-04 -0.14230E-06 1959 0.304E-03 0.126E-03 DAV: 24 -0.845414005589E+03 -0.17911E-05 -0.65088E-07 2031 0.168E-03 1 F= -.84541401E+03 E0= -.84541789E+03 d E =0.116432E-01