iterations/neb0_image06_iter54_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 0.423872772743E+04 0.42387E+04 -0.23861E+05 2892 0.117E+03 DAV: 2 -0.428289634087E+03 -0.46670E+04 -0.45700E+04 3366 0.329E+02 DAV: 3 -0.942288439562E+03 -0.51400E+03 -0.51175E+03 3120 0.117E+02 DAV: 4 -0.954562291736E+03 -0.12274E+02 -0.12228E+02 3201 0.196E+01 DAV: 5 -0.954959294608E+03 -0.39700E+00 -0.39645E+00 3183 0.319E+00 0.811E+01 DAV: 6 -0.847032926195E+03 0.10793E+03 -0.46985E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846572212991E+03 0.46071E+00 -0.14557E+01 3543 0.607E+00 0.146E+01 DAV: 8 -0.846220196252E+03 0.35202E+00 -0.96610E-01 3156 0.233E+00 0.597E+00 DAV: 9 -0.846151515095E+03 0.68681E-01 -0.42345E-01 3174 0.147E+00 0.864E-01 DAV: 10 -0.846147652481E+03 0.38626E-02 -0.68210E-02 3120 0.582E-01 0.575E-01 DAV: 11 -0.846141968803E+03 0.56837E-02 -0.68412E-03 3138 0.229E-01 0.318E-01 DAV: 12 -0.846136657319E+03 0.53115E-02 -0.73706E-03 3093 0.268E-01 0.124E-01 DAV: 13 -0.846136558405E+03 0.98915E-04 -0.49231E-03 3066 0.235E-01 0.147E-01 DAV: 14 -0.846139752579E+03 -0.31942E-02 -0.34306E-03 3066 0.159E-01 0.101E-01 DAV: 15 -0.846144896789E+03 -0.51442E-02 -0.14630E-03 3111 0.118E-01 0.418E-02 DAV: 16 -0.846147124930E+03 -0.22281E-02 -0.56586E-04 3093 0.586E-02 0.382E-02 DAV: 17 -0.846148160433E+03 -0.10355E-02 -0.16139E-04 3120 0.280E-02 0.237E-02 DAV: 18 -0.846149249356E+03 -0.10889E-02 -0.44309E-05 2688 0.177E-02 0.107E-02 DAV: 19 -0.846149858279E+03 -0.60892E-03 -0.30463E-05 2490 0.180E-02 0.824E-03 DAV: 20 -0.846149986875E+03 -0.12860E-03 -0.27150E-05 2544 0.127E-02 0.666E-03 DAV: 21 -0.846150038745E+03 -0.51870E-04 -0.39812E-06 1986 0.574E-03 0.392E-03 DAV: 22 -0.846150096889E+03 -0.58144E-04 -0.40304E-06 1950 0.526E-03 0.200E-03 DAV: 23 -0.846150107652E+03 -0.10763E-04 -0.20272E-06 1995 0.356E-03 0.196E-03 DAV: 24 -0.846150110464E+03 -0.28124E-05 -0.94102E-07 2004 0.254E-03 1 F= -.84615011E+03 E0= -.84615399E+03 d E =0.116422E-01