./iterations/neb0_image09_iter38_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 0.423646965991E+04 0.42365E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.426502831789E+03 -0.46630E+04 -0.45626E+04 3357 0.329E+02
DAV: 3 -0.942825065017E+03 -0.51632E+03 -0.51413E+03 3120 0.118E+02
DAV: 4 -0.955204993051E+03 -0.12380E+02 -0.12334E+02 3183 0.197E+01
DAV: 5 -0.955612450187E+03 -0.40746E+00 -0.40691E+00 3183 0.323E+00 0.812E+01
DAV: 6 -0.847627326049E+03 0.10799E+03 -0.47129E+02 3066 0.348E+01 0.376E+01
DAV: 7 -0.847058941775E+03 0.56838E+00 -0.14691E+01 3507 0.627E+00 0.148E+01
DAV: 8 -0.846724500272E+03 0.33444E+00 -0.18957E+00 3264 0.364E+00 0.609E+00
DAV: 9 -0.846648853771E+03 0.75647E-01 -0.73913E-01 3228 0.214E+00 0.157E+00
DAV: 10 -0.846620246752E+03 0.28607E-01 -0.15399E-01 3516 0.119E+00 0.111E+00
DAV: 11 -0.846598563798E+03 0.21683E-01 -0.67551E-02 3417 0.743E-01 0.902E-01
DAV: 12 -0.846581128470E+03 0.17435E-01 -0.89129E-02 4191 0.924E-01 0.983E-01
DAV: 13 -0.846573131152E+03 0.79973E-02 -0.38020E-02 3516 0.477E-01 0.483E-01
DAV: 14 -0.846569141941E+03 0.39892E-02 -0.17601E-02 3174 0.394E-01 0.455E-01
DAV: 15 -0.846567413452E+03 0.17285E-02 -0.27473E-02 3723 0.275E-01 0.320E-01
DAV: 16 -0.846566763372E+03 0.65008E-03 -0.12520E-02 3039 0.403E-01 0.369E-01
DAV: 17 -0.846566101764E+03 0.66161E-03 -0.88069E-03 3093 0.189E-01 0.167E-01
DAV: 18 -0.846569062427E+03 -0.29607E-02 -0.31942E-03 3048 0.156E-01 0.166E-01
DAV: 19 -0.846571480516E+03 -0.24181E-02 -0.41222E-03 3291 0.190E-01 0.127E-01
DAV: 20 -0.846574817385E+03 -0.33369E-02 -0.16188E-03 3075 0.894E-02 0.170E-01
DAV: 21 -0.846575534492E+03 -0.71711E-03 -0.52426E-04 3309 0.578E-02 0.814E-02
DAV: 22 -0.846576584565E+03 -0.10501E-02 -0.49348E-04 3093 0.458E-02 0.312E-02
DAV: 23 -0.846577670551E+03 -0.10860E-02 -0.94271E-05 2832 0.296E-02 0.194E-02
DAV: 24 -0.846578176347E+03 -0.50580E-03 -0.62312E-05 2769 0.192E-02 0.224E-02
DAV: 25 -0.846578462554E+03 -0.28621E-03 -0.35503E-05 2040 0.135E-02 0.900E-03
DAV: 26 -0.846578744302E+03 -0.28175E-03 -0.24121E-05 2094 0.174E-02 0.124E-02
DAV: 27 -0.846578786084E+03 -0.41782E-04 -0.15181E-05 2013 0.804E-03 0.693E-03
DAV: 28 -0.846578808094E+03 -0.22010E-04 -0.35612E-06 1968 0.387E-03 0.579E-03
DAV: 29 -0.846578829450E+03 -0.21356E-04 -0.16467E-06 1959 0.356E-03 0.265E-03
DAV: 30 -0.846578838128E+03 -0.86783E-05 -0.16719E-06 1977 0.306E-03
1 F= -.84657884E+03 E0= -.84662795E+03 d E =0.147327E+00