./iterations/neb0_image04_iter46_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 0.423846971103E+04 0.42385E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.426681299800E+03 -0.46652E+04 -0.45688E+04 3348 0.329E+02
DAV: 3 -0.942604034269E+03 -0.51592E+03 -0.51366E+03 3120 0.118E+02
DAV: 4 -0.955005261493E+03 -0.12401E+02 -0.12354E+02 3192 0.197E+01
DAV: 5 -0.955415030829E+03 -0.40977E+00 -0.40922E+00 3219 0.322E+00 0.813E+01
DAV: 6 -0.847194652276E+03 0.10822E+03 -0.47073E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.846724936276E+03 0.46972E+00 -0.14449E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846391871833E+03 0.33306E+00 -0.96400E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846344791956E+03 0.47080E-01 -0.40973E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.846350443396E+03 -0.56514E-02 -0.74771E-02 3129 0.613E-01 0.603E-01
DAV: 11 -0.846349616295E+03 0.82710E-03 -0.65198E-03 3120 0.208E-01 0.351E-01
DAV: 12 -0.846349894693E+03 -0.27840E-03 -0.72770E-03 3066 0.248E-01 0.121E-01
DAV: 13 -0.846352872819E+03 -0.29781E-02 -0.45656E-03 3228 0.218E-01 0.139E-01
DAV: 14 -0.846356993494E+03 -0.41207E-02 -0.32179E-03 3075 0.152E-01 0.991E-02
DAV: 15 -0.846361575346E+03 -0.45819E-02 -0.11159E-03 3147 0.872E-02 0.350E-02
DAV: 16 -0.846364249570E+03 -0.26742E-02 -0.49453E-04 3084 0.532E-02 0.388E-02
DAV: 17 -0.846365378161E+03 -0.11286E-02 -0.24602E-04 3147 0.399E-02 0.264E-02
DAV: 18 -0.846366021200E+03 -0.64304E-03 -0.33708E-05 2508 0.192E-02 0.145E-02
DAV: 19 -0.846366659474E+03 -0.63827E-03 -0.40258E-05 2688 0.220E-02 0.747E-03
DAV: 20 -0.846366769936E+03 -0.11046E-03 -0.33085E-05 2706 0.144E-02 0.627E-03
DAV: 21 -0.846366818721E+03 -0.48785E-04 -0.33902E-06 1995 0.479E-03 0.562E-03
DAV: 22 -0.846366844434E+03 -0.25713E-04 -0.22956E-06 1986 0.354E-03 0.259E-03
DAV: 23 -0.846366853421E+03 -0.89876E-05 -0.16643E-06 1995 0.300E-03
1 F= -.84636685E+03 E0= -.84637072E+03 d E =0.115959E-01