./iterations/neb0_image02_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 0.423313721560E+04 0.42331E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430466675265E+03 -0.46636E+04 -0.45625E+04 3366 0.329E+02
DAV: 3 -0.943326137198E+03 -0.51286E+03 -0.51065E+03 3120 0.117E+02
DAV: 4 -0.955526853740E+03 -0.12201E+02 -0.12155E+02 3183 0.195E+01
DAV: 5 -0.955927487590E+03 -0.40063E+00 -0.40009E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847893961841E+03 0.10803E+03 -0.47071E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847432416583E+03 0.46155E+00 -0.14420E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847097793887E+03 0.33462E+00 -0.95905E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847051680960E+03 0.46113E-01 -0.40877E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.847058784417E+03 -0.71035E-02 -0.73026E-02 3102 0.607E-01 0.596E-01
DAV: 11 -0.847058893742E+03 -0.10933E-03 -0.66735E-03 3120 0.207E-01 0.340E-01
DAV: 12 -0.847060481442E+03 -0.15877E-02 -0.70206E-03 3048 0.242E-01 0.118E-01
DAV: 13 -0.847064020201E+03 -0.35388E-02 -0.44738E-03 3228 0.213E-01 0.135E-01
DAV: 14 -0.847068207248E+03 -0.41870E-02 -0.29577E-03 3102 0.143E-01 0.946E-02
DAV: 15 -0.847072901233E+03 -0.46940E-02 -0.11555E-03 3129 0.825E-02 0.346E-02
DAV: 16 -0.847075326061E+03 -0.24248E-02 -0.42652E-04 3111 0.485E-02 0.376E-02
DAV: 17 -0.847076400275E+03 -0.10742E-02 -0.22299E-04 3093 0.367E-02 0.258E-02
DAV: 18 -0.847077082611E+03 -0.68234E-03 -0.31175E-05 2463 0.194E-02 0.139E-02
DAV: 19 -0.847077663344E+03 -0.58073E-03 -0.40967E-05 2697 0.216E-02 0.708E-03
DAV: 20 -0.847077771480E+03 -0.10814E-03 -0.31243E-05 2670 0.143E-02 0.647E-03
DAV: 21 -0.847077810122E+03 -0.38642E-04 -0.33228E-06 1995 0.438E-03 0.574E-03
DAV: 22 -0.847077830784E+03 -0.20663E-04 -0.19646E-06 1995 0.326E-03 0.272E-03
DAV: 23 -0.847077840216E+03 -0.94317E-05 -0.16280E-06 1986 0.314E-03
1 F= -.84707784E+03 E0= -.84708171E+03 d E =0.115958E-01