iterations/neb0_image05_iter38_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 0.424093097005E+04 0.42409E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.424839675508E+03 -0.46658E+04 -0.45701E+04 3351 0.329E+02 DAV: 3 -0.941625357235E+03 -0.51679E+03 -0.51450E+03 3120 0.118E+02 DAV: 4 -0.954037130468E+03 -0.12412E+02 -0.12365E+02 3183 0.196E+01 DAV: 5 -0.954445647649E+03 -0.40852E+00 -0.40796E+00 3192 0.322E+00 0.812E+01 DAV: 6 -0.846281088052E+03 0.10816E+03 -0.47030E+02 3048 0.347E+01 0.375E+01 DAV: 7 -0.845813681018E+03 0.46741E+00 -0.14550E+01 3543 0.608E+00 0.146E+01 DAV: 8 -0.845460750707E+03 0.35293E+00 -0.97504E-01 3165 0.238E+00 0.594E+00 DAV: 9 -0.845390582031E+03 0.70169E-01 -0.42778E-01 3183 0.149E+00 0.862E-01 DAV: 10 -0.845386721215E+03 0.38608E-02 -0.67530E-02 3156 0.588E-01 0.577E-01 DAV: 11 -0.845380751472E+03 0.59697E-02 -0.70620E-03 3138 0.232E-01 0.318E-01 DAV: 12 -0.845375109438E+03 0.56420E-02 -0.68325E-03 3102 0.266E-01 0.123E-01 DAV: 13 -0.845374846080E+03 0.26336E-03 -0.51061E-03 3093 0.249E-01 0.144E-01 DAV: 14 -0.845378297373E+03 -0.34513E-02 -0.36895E-03 3048 0.168E-01 0.988E-02 DAV: 15 -0.845383199033E+03 -0.49017E-02 -0.14083E-03 3120 0.111E-01 0.412E-02 DAV: 16 -0.845385602381E+03 -0.24033E-02 -0.52653E-04 3093 0.635E-02 0.376E-02 DAV: 17 -0.845386678713E+03 -0.10763E-02 -0.22517E-04 3111 0.322E-02 0.254E-02 DAV: 18 -0.845387540242E+03 -0.86153E-03 -0.29554E-05 2535 0.163E-02 0.109E-02 DAV: 19 -0.845388288275E+03 -0.74803E-03 -0.40741E-05 2679 0.195E-02 0.759E-03 DAV: 20 -0.845388439495E+03 -0.15122E-03 -0.29902E-05 2625 0.135E-02 0.554E-03 DAV: 21 -0.845388477020E+03 -0.37524E-04 -0.33866E-06 2031 0.450E-03 0.494E-03 DAV: 22 -0.845388506599E+03 -0.29580E-04 -0.20077E-06 1968 0.327E-03 0.260E-03 DAV: 23 -0.845388535346E+03 -0.28746E-04 -0.21868E-06 1941 0.445E-03 0.159E-03 DAV: 24 -0.845388536920E+03 -0.15750E-05 -0.11495E-06 2031 0.243E-03 1 F= -.84538854E+03 E0= -.84539287E+03 d E =0.130130E-01