./iterations/neb0_image08_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 0.423618897681E+04 0.42362E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.428248116362E+03 -0.46644E+04 -0.45654E+04 3366 0.329E+02
DAV: 3 -0.942867213310E+03 -0.51462E+03 -0.51241E+03 3120 0.118E+02
DAV: 4 -0.955128753168E+03 -0.12262E+02 -0.12216E+02 3183 0.196E+01
DAV: 5 -0.955531679488E+03 -0.40293E+00 -0.40240E+00 3192 0.321E+00 0.812E+01
DAV: 6 -0.847438597147E+03 0.10809E+03 -0.47111E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846879009574E+03 0.55959E+00 -0.14706E+01 3525 0.634E+00 0.147E+01
DAV: 8 -0.846537279029E+03 0.34173E+00 -0.87304E-01 3327 0.292E+00 0.603E+00
DAV: 9 -0.846435684315E+03 0.10159E+00 -0.73495E-01 3354 0.217E+00 0.192E+00
DAV: 10 -0.846441316585E+03 -0.56323E-02 -0.23571E-01 3597 0.150E+00 0.159E+00
DAV: 11 -0.846421249834E+03 0.20067E-01 -0.96846E-02 3705 0.922E-01 0.113E+00
DAV: 12 -0.846402699707E+03 0.18550E-01 -0.90928E-02 3723 0.664E-01 0.958E-01
DAV: 13 -0.846389344052E+03 0.13356E-01 -0.20603E-02 3579 0.503E-01 0.464E-01
DAV: 14 -0.846388966591E+03 0.37746E-03 -0.31301E-02 3156 0.281E-01 0.594E-01
DAV: 15 -0.846386545089E+03 0.24215E-02 -0.27269E-02 3831 0.366E-01 0.485E-01
DAV: 16 -0.846385201534E+03 0.13436E-02 -0.85908E-03 3156 0.221E-01 0.320E-01
DAV: 17 -0.846386046859E+03 -0.84532E-03 -0.10912E-02 3030 0.184E-01 0.255E-01
DAV: 18 -0.846387093874E+03 -0.10470E-02 -0.30089E-03 3111 0.122E-01 0.181E-01
DAV: 19 -0.846389199594E+03 -0.21057E-02 -0.35460E-03 3345 0.134E-01 0.294E-01
DAV: 20 -0.846390955442E+03 -0.17558E-02 -0.36237E-03 3327 0.111E-01 0.111E-01
DAV: 21 -0.846395465069E+03 -0.45096E-02 -0.17115E-03 3111 0.863E-02 0.119E-01
DAV: 22 -0.846396580844E+03 -0.11158E-02 -0.69236E-04 3111 0.482E-02 0.406E-02
DAV: 23 -0.846397453014E+03 -0.87217E-03 -0.12798E-04 3093 0.248E-02 0.367E-02
DAV: 24 -0.846398232122E+03 -0.77911E-03 -0.69476E-05 2715 0.200E-02 0.268E-02
DAV: 25 -0.846398535277E+03 -0.30315E-03 -0.35281E-05 2013 0.167E-02 0.929E-03
DAV: 26 -0.846398822207E+03 -0.28693E-03 -0.30509E-05 2391 0.134E-02 0.962E-03
DAV: 27 -0.846398878918E+03 -0.56711E-04 -0.10674E-05 1986 0.749E-03 0.490E-03
DAV: 28 -0.846398903838E+03 -0.24920E-04 -0.38919E-06 1995 0.420E-03 0.582E-03
DAV: 29 -0.846398929164E+03 -0.25327E-04 -0.20148E-06 1950 0.309E-03 0.228E-03
DAV: 30 -0.846398936801E+03 -0.76367E-05 -0.13065E-06 1986 0.282E-03
1 F= -.84639894E+03 E0= -.84644554E+03 d E =0.139820E+00