iterations/neb0_image08_iter4_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 0.423150662375E+04 0.42315E+04 -0.23856E+05 2892 0.117E+03 DAV: 2 -0.424057562634E+03 -0.46556E+04 -0.45556E+04 3342 0.329E+02 DAV: 3 -0.941065185399E+03 -0.51701E+03 -0.51469E+03 3120 0.118E+02 DAV: 4 -0.953538276351E+03 -0.12473E+02 -0.12426E+02 3183 0.197E+01 DAV: 5 -0.953950474362E+03 -0.41220E+00 -0.41165E+00 3192 0.323E+00 0.812E+01 DAV: 6 -0.845927650289E+03 0.10802E+03 -0.47107E+02 3057 0.347E+01 0.377E+01 DAV: 7 -0.845432982738E+03 0.49467E+00 -0.14388E+01 3543 0.609E+00 0.146E+01 DAV: 8 -0.845078463474E+03 0.35452E+00 -0.93700E-01 3165 0.231E+00 0.599E+00 DAV: 9 -0.845012762514E+03 0.65701E-01 -0.42985E-01 3183 0.151E+00 0.894E-01 DAV: 10 -0.845008591915E+03 0.41706E-02 -0.63540E-02 3129 0.575E-01 0.578E-01 DAV: 11 -0.845002072473E+03 0.65194E-02 -0.84950E-03 3129 0.238E-01 0.305E-01 DAV: 12 -0.844996903518E+03 0.51690E-02 -0.57182E-03 3210 0.246E-01 0.122E-01 DAV: 13 -0.844996537694E+03 0.36582E-03 -0.48849E-03 3039 0.248E-01 0.140E-01 DAV: 14 -0.845000346057E+03 -0.38084E-02 -0.34942E-03 3075 0.155E-01 0.850E-02 DAV: 15 -0.845003506711E+03 -0.31607E-02 -0.57500E-04 3066 0.657E-02 0.456E-02 DAV: 16 -0.845007348275E+03 -0.38416E-02 -0.79164E-04 3057 0.725E-02 0.347E-02 DAV: 17 -0.845008678703E+03 -0.13304E-02 -0.25799E-04 3129 0.359E-02 0.262E-02 DAV: 18 -0.845009454033E+03 -0.77533E-03 -0.38390E-05 2661 0.169E-02 0.162E-02 DAV: 19 -0.845010143584E+03 -0.68955E-03 -0.34794E-05 2589 0.180E-02 0.733E-03 DAV: 20 -0.845010354160E+03 -0.21058E-03 -0.23448E-05 2283 0.144E-02 0.526E-03 DAV: 21 -0.845010403382E+03 -0.49222E-04 -0.84144E-06 1995 0.718E-03 0.502E-03 DAV: 22 -0.845010429016E+03 -0.25634E-04 -0.24620E-06 1968 0.341E-03 0.330E-03 DAV: 23 -0.845010440443E+03 -0.11427E-04 -0.16863E-06 1986 0.281E-03 0.158E-03 DAV: 24 -0.845010443039E+03 -0.25953E-05 -0.71658E-07 1995 0.180E-03 1 F= -.84501044E+03 E0= -.84501431E+03 d E =0.115960E-01