iterations/neb0_image06_iter50_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 0.423916946899E+04 0.42392E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428492491434E+03 -0.46677E+04 -0.45707E+04 3366 0.329E+02 DAV: 3 -0.942321997582E+03 -0.51383E+03 -0.51159E+03 3120 0.117E+02 DAV: 4 -0.954583242022E+03 -0.12261E+02 -0.12215E+02 3201 0.196E+01 DAV: 5 -0.954979583910E+03 -0.39634E+00 -0.39579E+00 3183 0.318E+00 0.811E+01 DAV: 6 -0.846982894667E+03 0.10800E+03 -0.47010E+02 3057 0.347E+01 0.375E+01 DAV: 7 -0.846527849928E+03 0.45504E+00 -0.14541E+01 3534 0.606E+00 0.146E+01 DAV: 8 -0.846178501499E+03 0.34935E+00 -0.96021E-01 3165 0.233E+00 0.597E+00 DAV: 9 -0.846112046820E+03 0.66455E-01 -0.42142E-01 3183 0.147E+00 0.863E-01 DAV: 10 -0.846108440598E+03 0.36062E-02 -0.68705E-02 3138 0.583E-01 0.575E-01 DAV: 11 -0.846102939218E+03 0.55014E-02 -0.66408E-03 3138 0.226E-01 0.321E-01 DAV: 12 -0.846097724741E+03 0.52145E-02 -0.75165E-03 3093 0.269E-01 0.125E-01 DAV: 13 -0.846097632685E+03 0.92056E-04 -0.48453E-03 3093 0.232E-01 0.148E-01 DAV: 14 -0.846100726579E+03 -0.30939E-02 -0.34040E-03 3057 0.159E-01 0.103E-01 DAV: 15 -0.846105914007E+03 -0.51874E-02 -0.14787E-03 3129 0.120E-01 0.423E-02 DAV: 16 -0.846108147973E+03 -0.22340E-02 -0.58982E-04 3111 0.591E-02 0.386E-02 DAV: 17 -0.846109171095E+03 -0.10231E-02 -0.15744E-04 3120 0.280E-02 0.239E-02 DAV: 18 -0.846110250060E+03 -0.10790E-02 -0.44794E-05 2697 0.173E-02 0.114E-02 DAV: 19 -0.846110865244E+03 -0.61518E-03 -0.30156E-05 2445 0.183E-02 0.866E-03 DAV: 20 -0.846110998615E+03 -0.13337E-03 -0.30292E-05 2670 0.136E-02 0.686E-03 DAV: 21 -0.846111050845E+03 -0.52229E-04 -0.42572E-06 1986 0.590E-03 0.398E-03 DAV: 22 -0.846111104116E+03 -0.53272E-04 -0.36949E-06 1950 0.507E-03 0.206E-03 DAV: 23 -0.846111116846E+03 -0.12730E-04 -0.20395E-06 1995 0.370E-03 0.214E-03 DAV: 24 -0.846111119793E+03 -0.29465E-05 -0.10962E-06 1995 0.284E-03 1 F= -.84611112E+03 E0= -.84611500E+03 d E =0.116533E-01