iterations/neb0_image02_iter23_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 0.423041546796E+04 0.42304E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.431860849379E+03 -0.46623E+04 -0.45623E+04 3366 0.329E+02 DAV: 3 -0.943135723979E+03 -0.51127E+03 -0.50908E+03 3120 0.117E+02 DAV: 4 -0.955311966557E+03 -0.12176E+02 -0.12130E+02 3183 0.195E+01 DAV: 5 -0.955711703027E+03 -0.39974E+00 -0.39919E+00 3192 0.320E+00 0.812E+01 DAV: 6 -0.847694726823E+03 0.10802E+03 -0.47103E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.847232515330E+03 0.46221E+00 -0.14344E+01 3552 0.607E+00 0.146E+01 DAV: 8 -0.846898581648E+03 0.33393E+00 -0.95948E-01 3165 0.239E+00 0.593E+00 DAV: 9 -0.846854510515E+03 0.44071E-01 -0.41289E-01 3183 0.154E+00 0.858E-01 DAV: 10 -0.846861471585E+03 -0.69611E-02 -0.74157E-02 3120 0.613E-01 0.598E-01 DAV: 11 -0.846861358714E+03 0.11287E-03 -0.66908E-03 3111 0.208E-01 0.342E-01 DAV: 12 -0.846862541117E+03 -0.11824E-02 -0.68050E-03 3066 0.244E-01 0.118E-01 DAV: 13 -0.846865855117E+03 -0.33140E-02 -0.44401E-03 3183 0.217E-01 0.134E-01 DAV: 14 -0.846869950613E+03 -0.40955E-02 -0.31120E-03 3111 0.147E-01 0.933E-02 DAV: 15 -0.846874645687E+03 -0.46951E-02 -0.12819E-03 3111 0.900E-02 0.396E-02 DAV: 16 -0.846876828125E+03 -0.21824E-02 -0.37243E-04 3111 0.492E-02 0.377E-02 DAV: 17 -0.846877894876E+03 -0.10668E-02 -0.26580E-04 3111 0.382E-02 0.270E-02 DAV: 18 -0.846878594670E+03 -0.69979E-03 -0.32974E-05 2517 0.207E-02 0.141E-02 DAV: 19 -0.846879171592E+03 -0.57692E-03 -0.42848E-05 2724 0.221E-02 0.711E-03 DAV: 20 -0.846879263859E+03 -0.92267E-04 -0.29836E-05 2634 0.135E-02 0.672E-03 DAV: 21 -0.846879303125E+03 -0.39266E-04 -0.31052E-06 1995 0.413E-03 0.568E-03 DAV: 22 -0.846879327373E+03 -0.24248E-04 -0.23529E-06 1995 0.357E-03 0.249E-03 DAV: 23 -0.846879337376E+03 -0.10003E-04 -0.16439E-06 1986 0.339E-03 0.122E-03 DAV: 24 -0.846879339804E+03 -0.24286E-05 -0.64423E-07 1995 0.180E-03 1 F= -.84687934E+03 E0= -.84688321E+03 d E =0.115958E-01