iterations/neb0_image02_iter36_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 0.423286868980E+04 0.42329E+04 -0.23865E+05 2892 0.117E+03 DAV: 2 -0.430465984962E+03 -0.46633E+04 -0.45624E+04 3366 0.329E+02 DAV: 3 -0.943322771615E+03 -0.51286E+03 -0.51066E+03 3120 0.117E+02 DAV: 4 -0.955527260604E+03 -0.12204E+02 -0.12159E+02 3183 0.195E+01 DAV: 5 -0.955928092886E+03 -0.40083E+00 -0.40029E+00 3192 0.320E+00 0.813E+01 DAV: 6 -0.847845025337E+03 0.10808E+03 -0.47090E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.847380365971E+03 0.46466E+00 -0.14434E+01 3543 0.608E+00 0.146E+01 DAV: 8 -0.847043463136E+03 0.33690E+00 -0.96744E-01 3156 0.238E+00 0.593E+00 DAV: 9 -0.846996344726E+03 0.47118E-01 -0.41256E-01 3192 0.153E+00 0.857E-01 DAV: 10 -0.847003220283E+03 -0.68756E-02 -0.73218E-02 3111 0.607E-01 0.601E-01 DAV: 11 -0.847003205324E+03 0.14959E-04 -0.66697E-03 3111 0.207E-01 0.343E-01 DAV: 12 -0.847004591070E+03 -0.13857E-02 -0.70013E-03 3057 0.245E-01 0.118E-01 DAV: 13 -0.847008041167E+03 -0.34501E-02 -0.46158E-03 3219 0.217E-01 0.135E-01 DAV: 14 -0.847012176322E+03 -0.41352E-02 -0.29926E-03 3093 0.143E-01 0.950E-02 DAV: 15 -0.847016903572E+03 -0.47272E-02 -0.11847E-03 3120 0.834E-02 0.359E-02 DAV: 16 -0.847019298345E+03 -0.23948E-02 -0.41435E-04 3111 0.489E-02 0.383E-02 DAV: 17 -0.847020367301E+03 -0.10690E-02 -0.24914E-04 3111 0.381E-02 0.268E-02 DAV: 18 -0.847021052803E+03 -0.68550E-03 -0.34123E-05 2562 0.205E-02 0.140E-02 DAV: 19 -0.847021641583E+03 -0.58878E-03 -0.41173E-05 2697 0.218E-02 0.723E-03 DAV: 20 -0.847021747341E+03 -0.10576E-03 -0.31268E-05 2697 0.141E-02 0.656E-03 DAV: 21 -0.847021786171E+03 -0.38829E-04 -0.31088E-06 1995 0.421E-03 0.575E-03 DAV: 22 -0.847021807951E+03 -0.21780E-04 -0.20446E-06 1995 0.327E-03 0.266E-03 DAV: 23 -0.847021818099E+03 -0.10148E-04 -0.15725E-06 1986 0.312E-03 0.117E-03 DAV: 24 -0.847021820930E+03 -0.28304E-05 -0.66889E-07 1995 0.177E-03 1 F= -.84702182E+03 E0= -.84702569E+03 d E =0.115958E-01