iterations/neb0_image02_iter9_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 0.422702977308E+04 0.42270E+04 -0.23858E+05 2892 0.117E+03 DAV: 2 -0.429663818495E+03 -0.46567E+04 -0.45564E+04 3366 0.329E+02 DAV: 3 -0.942553045681E+03 -0.51289E+03 -0.51067E+03 3120 0.117E+02 DAV: 4 -0.954814192146E+03 -0.12261E+02 -0.12215E+02 3192 0.195E+01 DAV: 5 -0.955218614778E+03 -0.40442E+00 -0.40389E+00 3192 0.321E+00 0.812E+01 DAV: 6 -0.847069135662E+03 0.10815E+03 -0.47169E+02 3066 0.347E+01 0.376E+01 DAV: 7 -0.846621532708E+03 0.44760E+00 -0.14492E+01 3534 0.610E+00 0.146E+01 DAV: 8 -0.846295657534E+03 0.32588E+00 -0.98403E-01 3183 0.236E+00 0.595E+00 DAV: 9 -0.846257359863E+03 0.38298E-01 -0.41236E-01 3192 0.148E+00 0.856E-01 DAV: 10 -0.846264523480E+03 -0.71636E-02 -0.65900E-02 3156 0.569E-01 0.601E-01 DAV: 11 -0.846264799352E+03 -0.27587E-03 -0.63868E-03 3138 0.208E-01 0.331E-01 DAV: 12 -0.846266377771E+03 -0.15784E-02 -0.64054E-03 3075 0.235E-01 0.113E-01 DAV: 13 -0.846269650326E+03 -0.32726E-02 -0.41944E-03 3165 0.203E-01 0.130E-01 DAV: 14 -0.846273389227E+03 -0.37389E-02 -0.24372E-03 3093 0.127E-01 0.890E-02 DAV: 15 -0.846277974702E+03 -0.45855E-02 -0.11331E-03 3057 0.839E-02 0.354E-02 DAV: 16 -0.846280142089E+03 -0.21674E-02 -0.41024E-04 3138 0.498E-02 0.361E-02 DAV: 17 -0.846281093745E+03 -0.95166E-03 -0.20620E-04 3102 0.347E-02 0.254E-02 DAV: 18 -0.846281735376E+03 -0.64163E-03 -0.30457E-05 2436 0.194E-02 0.122E-02 DAV: 19 -0.846282249056E+03 -0.51368E-03 -0.38506E-05 2679 0.212E-02 0.624E-03 DAV: 20 -0.846282353220E+03 -0.10416E-03 -0.27785E-05 2526 0.140E-02 0.619E-03 DAV: 21 -0.846282387807E+03 -0.34587E-04 -0.36591E-06 1995 0.441E-03 0.561E-03 DAV: 22 -0.846282404818E+03 -0.17011E-04 -0.17107E-06 1977 0.281E-03 0.283E-03 DAV: 23 -0.846282416911E+03 -0.12092E-04 -0.17029E-06 2004 0.308E-03 0.877E-04 DAV: 24 -0.846282418711E+03 -0.18004E-05 -0.55753E-07 2022 0.161E-03 1 F= -.84628242E+03 E0= -.84628628E+03 d E =0.115958E-01