./iterations/neb0_image07_iter55_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 0.423833516749E+04 0.42383E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.427079600226E+03 -0.46654E+04 -0.45675E+04 3354 0.329E+02
DAV: 3 -0.942694727636E+03 -0.51562E+03 -0.51338E+03 3120 0.118E+02
DAV: 4 -0.955026591788E+03 -0.12332E+02 -0.12285E+02 3183 0.196E+01
DAV: 5 -0.955431890550E+03 -0.40530E+00 -0.40474E+00 3183 0.321E+00 0.813E+01
DAV: 6 -0.847463841126E+03 0.10797E+03 -0.47090E+02 3102 0.348E+01 0.376E+01
DAV: 7 -0.846791303872E+03 0.67254E+00 -0.14873E+01 3534 0.656E+00 0.148E+01
DAV: 8 -0.846461530562E+03 0.32977E+00 -0.14060E+00 3165 0.278E+00 0.589E+00
DAV: 9 -0.846432088973E+03 0.29442E-01 -0.77424E-01 3471 0.232E+00 0.135E+00
DAV: 10 -0.846404545289E+03 0.27544E-01 -0.17200E-01 3219 0.102E+00 0.107E+00
DAV: 11 -0.846396791219E+03 0.77541E-02 -0.45823E-02 3219 0.592E-01 0.101E+00
DAV: 12 -0.846373538373E+03 0.23253E-01 -0.23792E-02 3714 0.530E-01 0.860E-01
DAV: 13 -0.846365954197E+03 0.75842E-02 -0.22337E-02 3948 0.623E-01 0.898E-01
DAV: 14 -0.846358166374E+03 0.77878E-02 -0.30979E-02 3426 0.323E-01 0.391E-01
DAV: 15 -0.846357009407E+03 0.11570E-02 -0.81155E-03 3138 0.246E-01 0.407E-01
DAV: 16 -0.846353234880E+03 0.37745E-02 -0.97081E-03 3363 0.317E-01 0.320E-01
DAV: 17 -0.846353701000E+03 -0.46612E-03 -0.10426E-02 3174 0.268E-01 0.394E-01
DAV: 18 -0.846356932369E+03 -0.32314E-02 -0.33705E-02 4101 0.345E-01 0.600E-01
DAV: 19 -0.846354693765E+03 0.22386E-02 -0.53685E-03 3246 0.152E-01 0.373E-01
DAV: 20 -0.846354905027E+03 -0.21126E-03 -0.39268E-03 3300 0.141E-01 0.114E-01
DAV: 21 -0.846357664279E+03 -0.27593E-02 -0.13706E-03 3066 0.885E-02 0.750E-02
DAV: 22 -0.846360186027E+03 -0.25217E-02 -0.45872E-04 3093 0.680E-02 0.587E-02
DAV: 23 -0.846362674232E+03 -0.24882E-02 -0.61432E-04 3084 0.641E-02 0.943E-02
DAV: 24 -0.846363334223E+03 -0.65999E-03 -0.29673E-04 3138 0.365E-02 0.401E-02
DAV: 25 -0.846363806679E+03 -0.47246E-03 -0.50619E-05 2904 0.161E-02 0.395E-02
DAV: 26 -0.846364177658E+03 -0.37098E-03 -0.82733E-05 2166 0.302E-02 0.210E-02
DAV: 27 -0.846364379519E+03 -0.20186E-03 -0.55450E-05 2769 0.152E-02 0.183E-02
DAV: 28 -0.846364428452E+03 -0.48934E-04 -0.24829E-05 2031 0.137E-02 0.133E-02
DAV: 29 -0.846364469840E+03 -0.41388E-04 -0.97944E-06 1959 0.744E-03 0.457E-03
DAV: 30 -0.846364501458E+03 -0.31618E-04 -0.56115E-06 1968 0.496E-03 0.568E-03
DAV: 31 -0.846364508128E+03 -0.66703E-05 -0.13640E-06 1995 0.320E-03
1 F= -.84636451E+03 E0= -.84641210E+03 d E =0.142763E+00