iterations/neb0_image02_iter7_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 0.422623998929E+04 0.42262E+04 -0.23857E+05 2892 0.117E+03 DAV: 2 -0.429348782157E+03 -0.46556E+04 -0.45550E+04 3366 0.329E+02 DAV: 3 -0.942338976752E+03 -0.51299E+03 -0.51076E+03 3120 0.117E+02 DAV: 4 -0.954613836547E+03 -0.12275E+02 -0.12229E+02 3192 0.195E+01 DAV: 5 -0.955017861643E+03 -0.40403E+00 -0.40347E+00 3174 0.321E+00 0.812E+01 DAV: 6 -0.846893270125E+03 0.10812E+03 -0.47176E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.846433088131E+03 0.46018E+00 -0.14345E+01 3561 0.606E+00 0.146E+01 DAV: 8 -0.846102509437E+03 0.33058E+00 -0.95802E-01 3156 0.237E+00 0.593E+00 DAV: 9 -0.846061697243E+03 0.40812E-01 -0.41828E-01 3192 0.150E+00 0.866E-01 DAV: 10 -0.846067855371E+03 -0.61581E-02 -0.66093E-02 3102 0.574E-01 0.595E-01 DAV: 11 -0.846067433595E+03 0.42178E-03 -0.65612E-03 3129 0.208E-01 0.323E-01 DAV: 12 -0.846068406395E+03 -0.97280E-03 -0.69088E-03 3084 0.246E-01 0.114E-01 DAV: 13 -0.846071515761E+03 -0.31094E-02 -0.43034E-03 3138 0.207E-01 0.130E-01 DAV: 14 -0.846075443736E+03 -0.39280E-02 -0.26025E-03 3084 0.131E-01 0.881E-02 DAV: 15 -0.846080574421E+03 -0.51307E-02 -0.14396E-03 3066 0.993E-02 0.427E-02 DAV: 16 -0.846082334323E+03 -0.17599E-02 -0.37175E-04 3156 0.480E-02 0.360E-02 DAV: 17 -0.846083172062E+03 -0.83774E-03 -0.17448E-04 3120 0.302E-02 0.243E-02 DAV: 18 -0.846083936353E+03 -0.76429E-03 -0.27467E-05 2319 0.171E-02 0.132E-02 DAV: 19 -0.846084481197E+03 -0.54484E-03 -0.36875E-05 2616 0.212E-02 0.779E-03 DAV: 20 -0.846084590892E+03 -0.10969E-03 -0.41560E-05 2787 0.172E-02 0.785E-03 DAV: 21 -0.846084617005E+03 -0.26112E-04 -0.50054E-06 2022 0.529E-03 0.591E-03 DAV: 22 -0.846084635657E+03 -0.18652E-04 -0.18319E-06 1986 0.289E-03 0.336E-03 DAV: 23 -0.846084650794E+03 -0.15137E-04 -0.23900E-06 2004 0.341E-03 0.120E-03 DAV: 24 -0.846084652937E+03 -0.21432E-05 -0.71571E-07 2022 0.172E-03 1 F= -.84608465E+03 E0= -.84608852E+03 d E =0.115959E-01