./neb0_image08_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 0.423711797779E+04 0.42371E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430078686362E+03 -0.46672E+04 -0.45686E+04 3378 0.329E+02
DAV: 3 -0.943037530446E+03 -0.51296E+03 -0.51081E+03 3120 0.117E+02
DAV: 4 -0.955205200354E+03 -0.12168E+02 -0.12123E+02 3183 0.195E+01
DAV: 5 -0.955603882340E+03 -0.39868E+00 -0.39815E+00 3201 0.319E+00 0.813E+01
DAV: 6 -0.847580514716E+03 0.10802E+03 -0.47166E+02 3075 0.348E+01 0.376E+01
DAV: 7 -0.846995587881E+03 0.58493E+00 -0.14795E+01 3525 0.634E+00 0.148E+01
DAV: 8 -0.846666240763E+03 0.32935E+00 -0.16764E+00 3183 0.336E+00 0.604E+00
DAV: 9 -0.846602833917E+03 0.63407E-01 -0.81251E-01 3561 0.229E+00 0.155E+00
DAV: 10 -0.846553327527E+03 0.49506E-01 -0.16062E-01 3372 0.103E+00 0.127E+00
DAV: 11 -0.846514983722E+03 0.38344E-01 -0.11435E-01 3543 0.977E-01 0.943E-01
DAV: 12 -0.846515518571E+03 -0.53485E-03 -0.11028E-01 3516 0.601E-01 0.729E-01
DAV: 13 -0.846509598648E+03 0.59199E-02 -0.91257E-02 3291 0.696E-01 0.913E-01
DAV: 14 -0.846500294341E+03 0.93043E-02 -0.29831E-02 3426 0.350E-01 0.325E-01
DAV: 15 -0.846500219609E+03 0.74732E-04 -0.21447E-02 3075 0.351E-01 0.433E-01
DAV: 16 -0.846497732824E+03 0.24868E-02 -0.19469E-02 3471 0.258E-01 0.289E-01
DAV: 17 -0.846497653875E+03 0.78949E-04 -0.62074E-03 3102 0.150E-01 0.183E-01
DAV: 18 -0.846498788531E+03 -0.11347E-02 -0.31885E-03 3183 0.112E-01 0.144E-01
DAV: 19 -0.846502430033E+03 -0.36415E-02 -0.35593E-03 3129 0.138E-01 0.109E-01
DAV: 20 -0.846505459097E+03 -0.30291E-02 -0.12807E-03 3093 0.863E-02 0.848E-02
DAV: 21 -0.846507600120E+03 -0.21410E-02 -0.59624E-04 3102 0.550E-02 0.372E-02
DAV: 22 -0.846509078631E+03 -0.14785E-02 -0.18461E-04 3093 0.320E-02 0.391E-02
DAV: 23 -0.846509983241E+03 -0.90461E-03 -0.13421E-04 2805 0.282E-02 0.229E-02
DAV: 24 -0.846510615379E+03 -0.63214E-03 -0.48867E-05 2733 0.175E-02 0.126E-02
DAV: 25 -0.846510872215E+03 -0.25684E-03 -0.17229E-05 2022 0.116E-02 0.842E-03
DAV: 26 -0.846511004406E+03 -0.13219E-03 -0.10490E-05 1986 0.930E-03 0.518E-03
DAV: 27 -0.846511086031E+03 -0.81626E-04 -0.61849E-06 1959 0.636E-03 0.387E-03
DAV: 28 -0.846511111526E+03 -0.25495E-04 -0.29165E-06 1995 0.393E-03 0.260E-03
DAV: 29 -0.846511125854E+03 -0.14327E-04 -0.13691E-06 1950 0.264E-03 0.174E-03
DAV: 30 -0.846511135692E+03 -0.98382E-05 -0.93226E-07 1977 0.231E-03
1 F= -.84651114E+03 E0= -.84656127E+03 d E =0.150391E+00