./iterations/neb0_image04_iter30_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 0.423530455630E+04 0.42353E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.428914842144E+03 -0.46642E+04 -0.45697E+04 3360 0.329E+02
DAV: 3 -0.942382453953E+03 -0.51347E+03 -0.51121E+03 3120 0.117E+02
DAV: 4 -0.954664737445E+03 -0.12282E+02 -0.12235E+02 3192 0.196E+01
DAV: 5 -0.955067367023E+03 -0.40263E+00 -0.40204E+00 3183 0.320E+00 0.812E+01
DAV: 6 -0.846827916140E+03 0.10824E+03 -0.47085E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846363580472E+03 0.46434E+00 -0.14422E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.846034317260E+03 0.32926E+00 -0.97114E-01 3165 0.239E+00 0.596E+00
DAV: 9 -0.845991626844E+03 0.42690E-01 -0.41528E-01 3192 0.153E+00 0.860E-01
DAV: 10 -0.845997462711E+03 -0.58359E-02 -0.73335E-02 3111 0.606E-01 0.605E-01
DAV: 11 -0.845996709382E+03 0.75333E-03 -0.65680E-03 3111 0.209E-01 0.350E-01
DAV: 12 -0.845996890920E+03 -0.18154E-03 -0.70150E-03 3066 0.248E-01 0.119E-01
DAV: 13 -0.845999444538E+03 -0.25536E-02 -0.43897E-03 3174 0.216E-01 0.136E-01
DAV: 14 -0.846003098148E+03 -0.36536E-02 -0.30275E-03 3084 0.146E-01 0.970E-02
DAV: 15 -0.846007663381E+03 -0.45652E-02 -0.11908E-03 3075 0.919E-02 0.373E-02
DAV: 16 -0.846010022526E+03 -0.23591E-02 -0.44486E-04 3093 0.521E-02 0.387E-02
DAV: 17 -0.846011115922E+03 -0.10934E-02 -0.24928E-04 3111 0.389E-02 0.259E-02
DAV: 18 -0.846011794083E+03 -0.67816E-03 -0.32668E-05 2481 0.195E-02 0.136E-02
DAV: 19 -0.846012399726E+03 -0.60564E-03 -0.39759E-05 2670 0.215E-02 0.710E-03
DAV: 20 -0.846012495771E+03 -0.96045E-04 -0.29035E-05 2688 0.131E-02 0.602E-03
DAV: 21 -0.846012543093E+03 -0.47322E-04 -0.28062E-06 1959 0.424E-03 0.520E-03
DAV: 22 -0.846012572758E+03 -0.29665E-04 -0.23466E-06 1977 0.371E-03 0.220E-03
DAV: 23 -0.846012581589E+03 -0.88302E-05 -0.15463E-06 1995 0.300E-03
1 F= -.84601258E+03 E0= -.84601645E+03 d E =0.115959E-01