iterations/neb0_image05_iter17_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 0.422704643550E+04 0.42270E+04 -0.23849E+05 2892 0.117E+03 DAV: 2 -0.425227024257E+03 -0.46523E+04 -0.45567E+04 3369 0.329E+02 DAV: 3 -0.940048098760E+03 -0.51482E+03 -0.51250E+03 3120 0.118E+02 DAV: 4 -0.952448287621E+03 -0.12400E+02 -0.12355E+02 3210 0.196E+01 DAV: 5 -0.952846054699E+03 -0.39777E+00 -0.39725E+00 3192 0.319E+00 0.808E+01 DAV: 6 -0.844933149046E+03 0.10791E+03 -0.47128E+02 3066 0.347E+01 0.374E+01 DAV: 7 -0.844545923896E+03 0.38723E+00 -0.14319E+01 3534 0.608E+00 0.146E+01 DAV: 8 -0.844223608135E+03 0.32232E+00 -0.94982E-01 3165 0.237E+00 0.601E+00 DAV: 9 -0.844178455521E+03 0.45153E-01 -0.42480E-01 3264 0.157E+00 0.973E-01 DAV: 10 -0.844172030233E+03 0.64253E-02 -0.65971E-02 3183 0.598E-01 0.661E-01 DAV: 11 -0.844167895897E+03 0.41343E-02 -0.10614E-02 3120 0.246E-01 0.368E-01 DAV: 12 -0.844163113545E+03 0.47824E-02 -0.62210E-03 3147 0.264E-01 0.145E-01 DAV: 13 -0.844162805919E+03 0.30763E-03 -0.60145E-03 3156 0.259E-01 0.185E-01 DAV: 14 -0.844163683473E+03 -0.87755E-03 -0.22386E-03 3183 0.108E-01 0.121E-01 DAV: 15 -0.844165408716E+03 -0.17252E-02 -0.76722E-04 3021 0.532E-02 0.786E-02 DAV: 16 -0.844171163422E+03 -0.57547E-02 -0.17327E-03 3192 0.116E-01 0.526E-02 DAV: 17 -0.844172785765E+03 -0.16223E-02 -0.77692E-04 3111 0.634E-02 0.316E-02 DAV: 18 -0.844173695904E+03 -0.91014E-03 -0.95266E-05 3147 0.197E-02 0.193E-02 DAV: 19 -0.844174918567E+03 -0.12227E-02 -0.62681E-05 2715 0.234E-02 0.103E-02 DAV: 20 -0.844175264135E+03 -0.34557E-03 -0.31592E-05 2607 0.153E-02 0.694E-03 DAV: 21 -0.844175379384E+03 -0.11525E-03 -0.88725E-06 2022 0.748E-03 0.444E-03 DAV: 22 -0.844175459266E+03 -0.79882E-04 -0.37985E-06 2004 0.507E-03 0.357E-03 DAV: 23 -0.844175489449E+03 -0.30183E-04 -0.31723E-06 2004 0.514E-03 0.150E-03 DAV: 24 -0.844175495076E+03 -0.56272E-05 -0.21946E-06 2013 0.389E-03 1 F= -.84417550E+03 E0= -.84418464E+03 d E =0.274322E-01