./iterations/neb0_image05_iter39_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.424070810626E+04 0.42407E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.424908037922E+03 -0.46656E+04 -0.45701E+04 3351 0.329E+02
DAV: 3 -0.941675832321E+03 -0.51677E+03 -0.51448E+03 3120 0.118E+02
DAV: 4 -0.954087832012E+03 -0.12412E+02 -0.12365E+02 3174 0.196E+01
DAV: 5 -0.954496673413E+03 -0.40884E+00 -0.40828E+00 3192 0.322E+00 0.812E+01
DAV: 6 -0.846381010267E+03 0.10812E+03 -0.47016E+02 3048 0.347E+01 0.375E+01
DAV: 7 -0.845910010603E+03 0.47100E+00 -0.14538E+01 3543 0.608E+00 0.146E+01
DAV: 8 -0.845554549488E+03 0.35546E+00 -0.97404E-01 3165 0.238E+00 0.594E+00
DAV: 9 -0.845482414933E+03 0.72135E-01 -0.42825E-01 3183 0.150E+00 0.862E-01
DAV: 10 -0.845478155567E+03 0.42594E-02 -0.68253E-02 3138 0.592E-01 0.576E-01
DAV: 11 -0.845471980007E+03 0.61756E-02 -0.71168E-03 3147 0.233E-01 0.317E-01
DAV: 12 -0.845466095000E+03 0.58850E-02 -0.69701E-03 3111 0.270E-01 0.124E-01
DAV: 13 -0.845465708653E+03 0.38635E-03 -0.52652E-03 3084 0.256E-01 0.146E-01
DAV: 14 -0.845469138363E+03 -0.34297E-02 -0.39038E-03 3057 0.180E-01 0.995E-02
DAV: 15 -0.845473872227E+03 -0.47339E-02 -0.14319E-03 3147 0.124E-01 0.446E-02
DAV: 16 -0.845476130154E+03 -0.22579E-02 -0.72690E-04 3138 0.860E-02 0.471E-02
DAV: 17 -0.845476703432E+03 -0.57328E-03 -0.38539E-04 3147 0.478E-02 0.443E-02
DAV: 18 -0.845476567893E+03 0.13554E-03 -0.47339E-05 2940 0.200E-02 0.477E-02
DAV: 19 -0.845476470113E+03 0.97781E-04 -0.37977E-05 2742 0.240E-02 0.477E-02
DAV: 20 -0.845476581776E+03 -0.11166E-03 -0.10448E-04 3543 0.443E-02 0.428E-02
DAV: 21 -0.845477406682E+03 -0.82491E-03 -0.33972E-04 4038 0.999E-02 0.362E-02
DAV: 22 -0.845478943013E+03 -0.15363E-02 -0.24166E-03 4902 0.276E-01 0.100E-01
DAV: 23 -0.845478915349E+03 0.27664E-04 -0.18538E-03 3633 0.208E-01 0.724E-02
DAV: 24 -0.845478860030E+03 0.55318E-04 -0.76457E-04 3660 0.800E-02 0.513E-02
DAV: 25 -0.845478902632E+03 -0.42602E-04 -0.20739E-04 3120 0.279E-02 0.377E-02
DAV: 26 -0.845478826708E+03 0.75924E-04 -0.50963E-04 4362 0.132E-01 0.519E-02
DAV: 27 -0.845478720245E+03 0.10646E-03 -0.46190E-04 3156 0.563E-02 0.639E-02
DAV: 28 -0.845478471863E+03 0.24838E-03 -0.12729E-04 3741 0.561E-02 0.948E-02
DAV: 29 -0.845478948650E+03 -0.47679E-03 -0.42675E-04 3966 0.127E-01 0.320E-02
DAV: 30 -0.845479245467E+03 -0.29682E-03 -0.69934E-04 3894 0.108E-01 0.260E-02
DAV: 31 -0.845479488946E+03 -0.24348E-03 -0.55814E-04 4128 0.972E-02 0.395E-02
DAV: 32 -0.845479714251E+03 -0.22530E-03 -0.35218E-04 3525 0.706E-02 0.604E-02
DAV: 33 -0.845479833316E+03 -0.11906E-03 -0.12474E-04 3057 0.323E-02 0.703E-02
DAV: 34 -0.845479861959E+03 -0.28643E-04 -0.25889E-05 2724 0.115E-02 0.742E-02
DAV: 35 -0.845479842176E+03 0.19783E-04 -0.15513E-06 1959 0.612E-03 0.724E-02
DAV: 36 -0.845479883020E+03 -0.40844E-04 -0.18098E-05 2211 0.117E-02 0.655E-02
DAV: 37 -0.845479899744E+03 -0.16724E-04 -0.37469E-06 2031 0.499E-03 0.661E-02
DAV: 38 -0.845479924685E+03 -0.24941E-04 -0.36208E-06 1941 0.611E-03 0.646E-02
DAV: 39 -0.845479959109E+03 -0.34424E-04 -0.37554E-06 2049 0.879E-03 0.671E-02
DAV: 40 -0.845479972272E+03 -0.13163E-04 -0.39679E-06 1770 0.478E-03 0.689E-02
DAV: 41 -0.845479976558E+03 -0.42863E-05 -0.94483E-07 1644 0.203E-03
1 F= -.84547998E+03 E0= -.84548400E+03 d E =0.120765E-01