iterations/neb0_image04_iter15_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 0.422927547111E+04 0.42293E+04 -0.23858E+05 2892 0.117E+03 DAV: 2 -0.428299527512E+03 -0.46576E+04 -0.45630E+04 3360 0.329E+02 DAV: 3 -0.941585105677E+03 -0.51329E+03 -0.51103E+03 3120 0.117E+02 DAV: 4 -0.953900548404E+03 -0.12315E+02 -0.12268E+02 3201 0.196E+01 DAV: 5 -0.954300518120E+03 -0.39997E+00 -0.39940E+00 3183 0.319E+00 0.810E+01 DAV: 6 -0.845847866694E+03 0.10845E+03 -0.47232E+02 3066 0.348E+01 0.375E+01 DAV: 7 -0.845419728163E+03 0.42814E+00 -0.14522E+01 3534 0.611E+00 0.146E+01 DAV: 8 -0.845098449585E+03 0.32128E+00 -0.95206E-01 3165 0.235E+00 0.601E+00 DAV: 9 -0.845057719274E+03 0.40730E-01 -0.42552E-01 3192 0.152E+00 0.864E-01 DAV: 10 -0.845061620837E+03 -0.39016E-02 -0.68850E-02 3129 0.585E-01 0.590E-01 DAV: 11 -0.845059860110E+03 0.17607E-02 -0.66372E-03 3111 0.208E-01 0.327E-01 DAV: 12 -0.845058527896E+03 0.13322E-02 -0.65126E-03 3111 0.244E-01 0.115E-01 DAV: 13 -0.845059858676E+03 -0.13308E-02 -0.40610E-03 3120 0.212E-01 0.132E-01 DAV: 14 -0.845063071819E+03 -0.32131E-02 -0.27420E-03 3057 0.138E-01 0.909E-02 DAV: 15 -0.845067897545E+03 -0.48257E-02 -0.14303E-03 3165 0.106E-01 0.460E-02 DAV: 16 -0.845069682094E+03 -0.17845E-02 -0.41403E-04 3165 0.522E-02 0.367E-02 DAV: 17 -0.845070590524E+03 -0.90843E-03 -0.20424E-04 3120 0.312E-02 0.252E-02 DAV: 18 -0.845071388105E+03 -0.79758E-03 -0.28760E-05 2445 0.178E-02 0.123E-02 DAV: 19 -0.845071945432E+03 -0.55733E-03 -0.36884E-05 2643 0.206E-02 0.700E-03 DAV: 20 -0.845072057586E+03 -0.11215E-03 -0.33490E-05 2715 0.149E-02 0.690E-03 DAV: 21 -0.845072090121E+03 -0.32534E-04 -0.38119E-06 2022 0.456E-03 0.553E-03 DAV: 22 -0.845072111921E+03 -0.21801E-04 -0.20042E-06 1977 0.286E-03 0.267E-03 DAV: 23 -0.845072130496E+03 -0.18574E-04 -0.17162E-06 2004 0.336E-03 0.102E-03 DAV: 24 -0.845072132070E+03 -0.15740E-05 -0.61169E-07 2031 0.159E-03 1 F= -.84507213E+03 E0= -.84507632E+03 d E =0.125739E-01