./iterations/neb0_image06_iter2_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 0.423661448034E+04 0.42366E+04 -0.23868E+05 2892 0.117E+03 DAV: 2 -0.422003059676E+03 -0.46586E+04 -0.45582E+04 3369 0.329E+02 DAV: 3 -0.938401201574E+03 -0.51640E+03 -0.51400E+03 3120 0.118E+02 DAV: 4 -0.950761747852E+03 -0.12361E+02 -0.12316E+02 3192 0.196E+01 DAV: 5 -0.951163280729E+03 -0.40153E+00 -0.40104E+00 3201 0.319E+00 0.819E+01 DAV: 6 -0.841011812805E+03 0.11015E+03 -0.47701E+02 3057 0.350E+01 0.380E+01 DAV: 7 -0.840414542117E+03 0.59727E+00 -0.14968E+01 3462 0.637E+00 0.147E+01 DAV: 8 -0.840040250331E+03 0.37429E+00 -0.10016E+00 3156 0.238E+00 0.605E+00 DAV: 9 -0.839985326487E+03 0.54924E-01 -0.43234E-01 3174 0.157E+00 0.896E-01 DAV: 10 -0.839984405575E+03 0.92091E-03 -0.72460E-02 3129 0.600E-01 0.604E-01 DAV: 11 -0.839981131149E+03 0.32744E-02 -0.89884E-03 3084 0.241E-01 0.329E-01 DAV: 12 -0.839978305329E+03 0.28258E-02 -0.64560E-03 3111 0.239E-01 0.128E-01 DAV: 13 -0.839979045315E+03 -0.73999E-03 -0.40301E-03 3057 0.214E-01 0.123E-01 DAV: 14 -0.839982620509E+03 -0.35752E-02 -0.28649E-03 3048 0.150E-01 0.833E-02 DAV: 15 -0.839986704576E+03 -0.40841E-02 -0.68840E-04 3048 0.710E-02 0.424E-02 DAV: 16 -0.839989681596E+03 -0.29770E-02 -0.61104E-04 3057 0.595E-02 0.288E-02 DAV: 17 -0.839991310574E+03 -0.16290E-02 -0.18864E-04 3084 0.336E-02 0.221E-02 DAV: 18 -0.839992026812E+03 -0.71624E-03 -0.45878E-05 2796 0.193E-02 0.139E-02 DAV: 19 -0.839992509105E+03 -0.48229E-03 -0.26628E-05 2454 0.163E-02 0.636E-03 DAV: 20 -0.839992761221E+03 -0.25212E-03 -0.16341E-05 2130 0.133E-02 0.468E-03 DAV: 21 -0.839992807010E+03 -0.45789E-04 -0.10819E-05 2040 0.754E-03 0.544E-03 DAV: 22 -0.839992826155E+03 -0.19145E-04 -0.23619E-06 1977 0.309E-03 0.383E-03 DAV: 23 -0.839992837983E+03 -0.11828E-04 -0.22780E-06 1977 0.283E-03 0.170E-03 DAV: 24 -0.839992840156E+03 -0.21736E-05 -0.51961E-07 1995 0.149E-03 1 F= -.83999284E+03 E0= -.83999671E+03 d E =0.115958E-01