iterations/neb0_image07_iter11_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 0.422957410201E+04 0.42296E+04 -0.23856E+05 2892 0.117E+03 DAV: 2 -0.425465146609E+03 -0.46550E+04 -0.45590E+04 3357 0.329E+02 DAV: 3 -0.941279843758E+03 -0.51581E+03 -0.51351E+03 3120 0.118E+02 DAV: 4 -0.953666082522E+03 -0.12386E+02 -0.12340E+02 3192 0.196E+01 DAV: 5 -0.954068090169E+03 -0.40201E+00 -0.40150E+00 3192 0.320E+00 0.809E+01 DAV: 6 -0.845781108934E+03 0.10829E+03 -0.47218E+02 3057 0.347E+01 0.374E+01 DAV: 7 -0.845343240305E+03 0.43787E+00 -0.14321E+01 3534 0.605E+00 0.146E+01 DAV: 8 -0.844999139050E+03 0.34410E+00 -0.93479E-01 3165 0.229E+00 0.601E+00 DAV: 9 -0.844939891511E+03 0.59248E-01 -0.42282E-01 3165 0.148E+00 0.870E-01 DAV: 10 -0.844937538193E+03 0.23533E-02 -0.62399E-02 3138 0.559E-01 0.578E-01 DAV: 11 -0.844932515609E+03 0.50226E-02 -0.73241E-03 3120 0.227E-01 0.306E-01 DAV: 12 -0.844928299005E+03 0.42166E-02 -0.61694E-03 3111 0.244E-01 0.119E-01 DAV: 13 -0.844928490109E+03 -0.19110E-03 -0.44096E-03 3057 0.224E-01 0.136E-01 DAV: 14 -0.844932071941E+03 -0.35818E-02 -0.30298E-03 3066 0.148E-01 0.873E-02 DAV: 15 -0.844936215308E+03 -0.41434E-02 -0.93209E-04 3075 0.884E-02 0.334E-02 DAV: 16 -0.844939086386E+03 -0.28711E-02 -0.55558E-04 3093 0.615E-02 0.337E-02 DAV: 17 -0.844940235538E+03 -0.11492E-02 -0.19773E-04 3120 0.311E-02 0.234E-02 DAV: 18 -0.844940977152E+03 -0.74161E-03 -0.26936E-05 2481 0.152E-02 0.129E-02 DAV: 19 -0.844941606019E+03 -0.62887E-03 -0.41075E-05 2697 0.197E-02 0.608E-03 DAV: 20 -0.844941746309E+03 -0.14029E-03 -0.23083E-05 2292 0.127E-02 0.560E-03 DAV: 21 -0.844941787617E+03 -0.41308E-04 -0.42022E-06 2013 0.451E-03 0.539E-03 DAV: 22 -0.844941809130E+03 -0.21513E-04 -0.16794E-06 1977 0.254E-03 0.307E-03 DAV: 23 -0.844941823425E+03 -0.14295E-04 -0.22388E-06 1968 0.316E-03 0.959E-04 DAV: 24 -0.844941825375E+03 -0.19499E-05 -0.60106E-07 2031 0.175E-03 1 F= -.84494183E+03 E0= -.84494576E+03 d E =0.117913E-01