./iterations/neb0_image06_iter41_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 0.424028818956E+04 0.42403E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428267021237E+03 -0.46686E+04 -0.45722E+04 3366 0.329E+02 DAV: 3 -0.942379179962E+03 -0.51411E+03 -0.51187E+03 3120 0.117E+02 DAV: 4 -0.954641999307E+03 -0.12263E+02 -0.12217E+02 3183 0.196E+01 DAV: 5 -0.955044042300E+03 -0.40204E+00 -0.40149E+00 3183 0.321E+00 0.811E+01 DAV: 6 -0.846954833263E+03 0.10809E+03 -0.47023E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846488400330E+03 0.46643E+00 -0.14641E+01 3534 0.607E+00 0.146E+01 DAV: 8 -0.846131678549E+03 0.35672E+00 -0.96805E-01 3156 0.235E+00 0.596E+00 DAV: 9 -0.846058919685E+03 0.72759E-01 -0.42753E-01 3183 0.149E+00 0.868E-01 DAV: 10 -0.846053907972E+03 0.50117E-02 -0.70696E-02 3120 0.593E-01 0.576E-01 DAV: 11 -0.846047578004E+03 0.63300E-02 -0.66914E-03 3138 0.228E-01 0.320E-01 DAV: 12 -0.846041522654E+03 0.60553E-02 -0.78591E-03 3093 0.283E-01 0.126E-01 DAV: 13 -0.846041160521E+03 0.36213E-03 -0.53246E-03 3084 0.249E-01 0.150E-01 DAV: 14 -0.846044286326E+03 -0.31258E-02 -0.36069E-03 3057 0.164E-01 0.104E-01 DAV: 15 -0.846049625738E+03 -0.53394E-02 -0.16257E-03 3120 0.127E-01 0.454E-02 DAV: 16 -0.846051922130E+03 -0.22964E-02 -0.61831E-04 3102 0.645E-02 0.398E-02 DAV: 17 -0.846052907152E+03 -0.98502E-03 -0.20463E-04 3129 0.302E-02 0.258E-02 DAV: 18 -0.846053860647E+03 -0.95349E-03 -0.36031E-05 2571 0.165E-02 0.112E-02 DAV: 19 -0.846054647140E+03 -0.78649E-03 -0.43250E-05 2733 0.201E-02 0.914E-03 DAV: 20 -0.846054745242E+03 -0.98101E-04 -0.29740E-05 2724 0.124E-02 0.675E-03 DAV: 21 -0.846054794416E+03 -0.49175E-04 -0.29229E-06 1959 0.476E-03 0.459E-03 DAV: 22 -0.846054874534E+03 -0.80117E-04 -0.65786E-06 1950 0.729E-03 0.283E-03 DAV: 23 -0.846054886381E+03 -0.11848E-04 -0.37616E-06 1995 0.482E-03 0.283E-03 DAV: 24 -0.846054888281E+03 -0.18996E-05 -0.14009E-06 2022 0.331E-03 1 F= -.84605489E+03 E0= -.84605928E+03 d E =0.131830E-01