./iterations/neb0_image01_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 0.423161174352E+04 0.42316E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430736394062E+03 -0.46623E+04 -0.45593E+04 3360 0.329E+02
DAV: 3 -0.943516162816E+03 -0.51278E+03 -0.51057E+03 3120 0.117E+02
DAV: 4 -0.955725790422E+03 -0.12210E+02 -0.12164E+02 3183 0.195E+01
DAV: 5 -0.956126930939E+03 -0.40114E+00 -0.40059E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.848026331166E+03 0.10810E+03 -0.47114E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847560158897E+03 0.46617E+00 -0.14393E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847224239640E+03 0.33592E+00 -0.95876E-01 3156 0.237E+00 0.593E+00
DAV: 9 -0.847179574540E+03 0.44665E-01 -0.41043E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.847186169587E+03 -0.65950E-02 -0.70815E-02 3138 0.596E-01 0.589E-01
DAV: 11 -0.847186040751E+03 0.12884E-03 -0.64740E-03 3120 0.207E-01 0.333E-01
DAV: 12 -0.847187521125E+03 -0.14804E-02 -0.70255E-03 3048 0.243E-01 0.117E-01
DAV: 13 -0.847190896769E+03 -0.33756E-02 -0.43162E-03 3201 0.209E-01 0.134E-01
DAV: 14 -0.847194826232E+03 -0.39295E-02 -0.28011E-03 3111 0.138E-01 0.941E-02
DAV: 15 -0.847199658754E+03 -0.48325E-02 -0.12133E-03 3066 0.868E-02 0.359E-02
DAV: 16 -0.847201882804E+03 -0.22240E-02 -0.41005E-04 3120 0.479E-02 0.369E-02
DAV: 17 -0.847202942798E+03 -0.10600E-02 -0.20036E-04 3084 0.343E-02 0.250E-02
DAV: 18 -0.847203656280E+03 -0.71348E-03 -0.27667E-05 2346 0.186E-02 0.136E-02
DAV: 19 -0.847204207165E+03 -0.55089E-03 -0.40871E-05 2688 0.211E-02 0.726E-03
DAV: 20 -0.847204299595E+03 -0.92429E-04 -0.31597E-05 2706 0.141E-02 0.676E-03
DAV: 21 -0.847204334400E+03 -0.34806E-04 -0.31939E-06 2004 0.425E-03 0.587E-03
DAV: 22 -0.847204354877E+03 -0.20476E-04 -0.20836E-06 1995 0.347E-03 0.268E-03
DAV: 23 -0.847204362975E+03 -0.80981E-05 -0.16229E-06 1995 0.308E-03
1 F= -.84720436E+03 E0= -.84720823E+03 d E =0.115958E-01