iterations/neb0_image01_iter13_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 0.422924670153E+04 0.42292E+04 -0.23862E+05 2892 0.117E+03 DAV: 2 -0.430947137323E+03 -0.46602E+04 -0.45569E+04 3360 0.329E+02 DAV: 3 -0.943467399906E+03 -0.51252E+03 -0.51032E+03 3120 0.117E+02 DAV: 4 -0.955674629253E+03 -0.12207E+02 -0.12162E+02 3183 0.195E+01 DAV: 5 -0.956076432903E+03 -0.40180E+00 -0.40126E+00 3201 0.320E+00 0.812E+01 DAV: 6 -0.847943635262E+03 0.10813E+03 -0.47156E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.847479234174E+03 0.46440E+00 -0.14371E+01 3561 0.606E+00 0.146E+01 DAV: 8 -0.847144737088E+03 0.33450E+00 -0.96413E-01 3165 0.238E+00 0.592E+00 DAV: 9 -0.847101186802E+03 0.43550E-01 -0.41321E-01 3192 0.150E+00 0.859E-01 DAV: 10 -0.847107659086E+03 -0.64723E-02 -0.68933E-02 3120 0.588E-01 0.587E-01 DAV: 11 -0.847107482924E+03 0.17616E-03 -0.64423E-03 3129 0.209E-01 0.328E-01 DAV: 12 -0.847108814555E+03 -0.13316E-02 -0.68904E-03 3057 0.244E-01 0.115E-01 DAV: 13 -0.847111957764E+03 -0.31432E-02 -0.42276E-03 3192 0.207E-01 0.133E-01 DAV: 14 -0.847115720606E+03 -0.37628E-02 -0.26632E-03 3102 0.134E-01 0.924E-02 DAV: 15 -0.847120575398E+03 -0.48548E-02 -0.12214E-03 3057 0.900E-02 0.370E-02 DAV: 16 -0.847122663659E+03 -0.20883E-02 -0.40739E-04 3120 0.476E-02 0.367E-02 DAV: 17 -0.847123655046E+03 -0.99139E-03 -0.17846E-04 3093 0.318E-02 0.241E-02 DAV: 18 -0.847124397441E+03 -0.74240E-03 -0.26117E-05 2292 0.179E-02 0.131E-02 DAV: 19 -0.847124931731E+03 -0.53429E-03 -0.38128E-05 2652 0.205E-02 0.738E-03 DAV: 20 -0.847125033379E+03 -0.10165E-03 -0.34040E-05 2760 0.152E-02 0.694E-03 DAV: 21 -0.847125062454E+03 -0.29076E-04 -0.37572E-06 2004 0.452E-03 0.612E-03 DAV: 22 -0.847125079380E+03 -0.16926E-04 -0.17281E-06 1986 0.303E-03 0.328E-03 DAV: 23 -0.847125089564E+03 -0.10183E-04 -0.17811E-06 1977 0.317E-03 0.119E-03 DAV: 24 -0.847125092152E+03 -0.25880E-05 -0.71530E-07 1986 0.180E-03 1 F= -.84712509E+03 E0= -.84712896E+03 d E =0.115958E-01