iterations/neb0_image03_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 0.422450343006E+04 0.42245E+04 -0.23853E+05 2892 0.117E+03 DAV: 2 -0.425728443289E+03 -0.46502E+04 -0.45527E+04 3351 0.329E+02 DAV: 3 -0.940741636089E+03 -0.51501E+03 -0.51269E+03 3120 0.118E+02 DAV: 4 -0.953176932603E+03 -0.12435E+02 -0.12388E+02 3192 0.197E+01 DAV: 5 -0.953588708496E+03 -0.41178E+00 -0.41124E+00 3192 0.323E+00 0.812E+01 DAV: 6 -0.845397431244E+03 0.10819E+03 -0.47239E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.844910110089E+03 0.48732E+00 -0.14308E+01 3543 0.609E+00 0.146E+01 DAV: 8 -0.844575465106E+03 0.33464E+00 -0.95699E-01 3138 0.239E+00 0.594E+00 DAV: 9 -0.844534034645E+03 0.41430E-01 -0.41858E-01 3183 0.153E+00 0.872E-01 DAV: 10 -0.844539411267E+03 -0.53766E-02 -0.68461E-02 3111 0.589E-01 0.586E-01 DAV: 11 -0.844538427535E+03 0.98373E-03 -0.68927E-03 3165 0.212E-01 0.325E-01 DAV: 12 -0.844538715601E+03 -0.28807E-03 -0.72016E-03 3147 0.250E-01 0.117E-01 DAV: 13 -0.844541257602E+03 -0.25420E-02 -0.43817E-03 3201 0.211E-01 0.132E-01 DAV: 14 -0.844545117644E+03 -0.38600E-02 -0.29010E-03 3084 0.142E-01 0.901E-02 DAV: 15 -0.844550125095E+03 -0.50075E-02 -0.14652E-03 3120 0.105E-01 0.426E-02 DAV: 16 -0.844551948269E+03 -0.18232E-02 -0.38630E-04 3111 0.476E-02 0.356E-02 DAV: 17 -0.844552875379E+03 -0.92711E-03 -0.17372E-04 3102 0.303E-02 0.238E-02 DAV: 18 -0.844553668583E+03 -0.79320E-03 -0.30103E-05 2427 0.168E-02 0.141E-02 DAV: 19 -0.844554226997E+03 -0.55841E-03 -0.34517E-05 2553 0.206E-02 0.800E-03 DAV: 20 -0.844554333021E+03 -0.10602E-03 -0.40619E-05 2787 0.163E-02 0.765E-03 DAV: 21 -0.844554369334E+03 -0.36313E-04 -0.41799E-06 1995 0.475E-03 0.589E-03 DAV: 22 -0.844554395453E+03 -0.26120E-04 -0.30274E-06 2022 0.364E-03 0.244E-03 DAV: 23 -0.844554406175E+03 -0.10722E-04 -0.13499E-06 1995 0.276E-03 0.129E-03 DAV: 24 -0.844554409558E+03 -0.33829E-05 -0.57583E-07 1950 0.172E-03 1 F= -.84455441E+03 E0= -.84455828E+03 d E =0.115972E-01