./iterations/neb0_image09_iter40_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 0.423667642467E+04 0.42367E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.426506657990E+03 -0.46632E+04 -0.45628E+04 3357 0.329E+02
DAV: 3 -0.942853314693E+03 -0.51635E+03 -0.51416E+03 3120 0.118E+02
DAV: 4 -0.955232123132E+03 -0.12379E+02 -0.12333E+02 3183 0.197E+01
DAV: 5 -0.955639722762E+03 -0.40760E+00 -0.40706E+00 3192 0.323E+00 0.813E+01
DAV: 6 -0.847634596938E+03 0.10801E+03 -0.47150E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.847068640359E+03 0.56596E+00 -0.14672E+01 3507 0.626E+00 0.148E+01
DAV: 8 -0.846726561719E+03 0.34208E+00 -0.17801E+00 3219 0.358E+00 0.606E+00
DAV: 9 -0.846641855312E+03 0.84706E-01 -0.68630E-01 3210 0.202E+00 0.155E+00
DAV: 10 -0.846631166845E+03 0.10688E-01 -0.16724E-01 3570 0.126E+00 0.126E+00
DAV: 11 -0.846592632776E+03 0.38534E-01 -0.46194E-02 3498 0.793E-01 0.782E-01
DAV: 12 -0.846595294621E+03 -0.26618E-02 -0.17373E-01 4056 0.992E-01 0.123E+00
DAV: 13 -0.846580799888E+03 0.14495E-01 -0.14538E-01 3588 0.733E-01 0.671E-01
DAV: 14 -0.846572229530E+03 0.85704E-02 -0.37763E-02 3075 0.434E-01 0.331E-01
DAV: 15 -0.846570596357E+03 0.16332E-02 -0.14530E-02 3156 0.300E-01 0.294E-01
DAV: 16 -0.846571090179E+03 -0.49382E-03 -0.72507E-03 3246 0.277E-01 0.433E-01
DAV: 17 -0.846569540616E+03 0.15496E-02 -0.11762E-02 3192 0.233E-01 0.143E-01
DAV: 18 -0.846571535559E+03 -0.19949E-02 -0.27879E-03 3066 0.122E-01 0.943E-02
DAV: 19 -0.846574147568E+03 -0.26120E-02 -0.16476E-03 3291 0.141E-01 0.938E-02
DAV: 20 -0.846577476172E+03 -0.33286E-02 -0.11587E-03 3075 0.830E-02 0.871E-02
DAV: 21 -0.846579297600E+03 -0.18214E-02 -0.40468E-04 3138 0.569E-02 0.429E-02
DAV: 22 -0.846580824220E+03 -0.15266E-02 -0.32980E-04 3084 0.421E-02 0.370E-02
DAV: 23 -0.846581876929E+03 -0.10527E-02 -0.14617E-04 3012 0.288E-02 0.224E-02
DAV: 24 -0.846582227876E+03 -0.35095E-03 -0.83171E-05 2265 0.233E-02 0.187E-02
DAV: 25 -0.846582492906E+03 -0.26503E-03 -0.30976E-05 2103 0.126E-02 0.920E-03
DAV: 26 -0.846582647402E+03 -0.15450E-03 -0.12115E-05 1977 0.107E-02 0.540E-03
DAV: 27 -0.846582704033E+03 -0.56632E-04 -0.90837E-06 1977 0.690E-03 0.374E-03
DAV: 28 -0.846582728307E+03 -0.24273E-04 -0.26870E-06 1995 0.364E-03 0.401E-03
DAV: 29 -0.846582746758E+03 -0.18451E-04 -0.18629E-06 1950 0.334E-03 0.241E-03
DAV: 30 -0.846582749720E+03 -0.29618E-05 -0.89862E-07 2013 0.213E-03
1 F= -.84658275E+03 E0= -.84663250E+03 d E =0.149261E+00