./iterations/neb0_image07_iter26_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 0.423514297014E+04 0.42351E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.425385527842E+03 -0.46605E+04 -0.45632E+04 3348 0.329E+02
DAV: 3 -0.942306970846E+03 -0.51692E+03 -0.51464E+03 3120 0.118E+02
DAV: 4 -0.954723672584E+03 -0.12417E+02 -0.12370E+02 3192 0.196E+01
DAV: 5 -0.955126291927E+03 -0.40262E+00 -0.40207E+00 3183 0.320E+00 0.811E+01
DAV: 6 -0.847022768541E+03 0.10810E+03 -0.47097E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846562075774E+03 0.46069E+00 -0.14597E+01 3552 0.607E+00 0.146E+01
DAV: 8 -0.846206277132E+03 0.35580E+00 -0.95662E-01 3174 0.232E+00 0.598E+00
DAV: 9 -0.846134774499E+03 0.71503E-01 -0.42662E-01 3183 0.148E+00 0.869E-01
DAV: 10 -0.846129661783E+03 0.51127E-02 -0.68083E-02 3120 0.578E-01 0.577E-01
DAV: 11 -0.846123307642E+03 0.63541E-02 -0.67592E-03 3138 0.230E-01 0.320E-01
DAV: 12 -0.846117356755E+03 0.59509E-02 -0.74342E-03 3111 0.278E-01 0.125E-01
DAV: 13 -0.846117134443E+03 0.22231E-03 -0.51644E-03 3075 0.243E-01 0.148E-01
DAV: 14 -0.846120455680E+03 -0.33212E-02 -0.35050E-03 3066 0.163E-01 0.101E-01
DAV: 15 -0.846125845417E+03 -0.53897E-02 -0.15350E-03 3201 0.127E-01 0.437E-02
DAV: 16 -0.846128080116E+03 -0.22347E-02 -0.59746E-04 3093 0.594E-02 0.395E-02
DAV: 17 -0.846128948161E+03 -0.86804E-03 -0.14054E-04 3138 0.254E-02 0.253E-02
DAV: 18 -0.846130082490E+03 -0.11343E-02 -0.55623E-05 2796 0.170E-02 0.114E-02
DAV: 19 -0.846130752136E+03 -0.66965E-03 -0.31997E-05 2481 0.183E-02 0.104E-02
DAV: 20 -0.846130875490E+03 -0.12335E-03 -0.27922E-05 2634 0.125E-02 0.727E-03
DAV: 21 -0.846130948750E+03 -0.73259E-04 -0.52885E-06 1959 0.686E-03 0.398E-03
DAV: 22 -0.846131027837E+03 -0.79088E-04 -0.61387E-06 1959 0.755E-03 0.298E-03
DAV: 23 -0.846131037353E+03 -0.95159E-05 -0.36786E-06 2013 0.448E-03
1 F= -.84613104E+03 E0= -.84613494E+03 d E =0.117127E-01