./iterations/neb0_image04_iter58_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 0.423733617532E+04 0.42373E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.428646997772E+03 -0.46660E+04 -0.45697E+04 3357 0.329E+02
DAV: 3 -0.942755490374E+03 -0.51411E+03 -0.51186E+03 3120 0.117E+02
DAV: 4 -0.955079107419E+03 -0.12324E+02 -0.12277E+02 3183 0.196E+01
DAV: 5 -0.955485009247E+03 -0.40590E+00 -0.40534E+00 3210 0.322E+00 0.813E+01
DAV: 6 -0.847399810364E+03 0.10809E+03 -0.47051E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.846941371599E+03 0.45844E+00 -0.14431E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.846609979228E+03 0.33139E+00 -0.95901E-01 3165 0.236E+00 0.594E+00
DAV: 9 -0.846564151493E+03 0.45828E-01 -0.40697E-01 3192 0.151E+00 0.856E-01
DAV: 10 -0.846569897071E+03 -0.57456E-02 -0.73882E-02 3111 0.607E-01 0.599E-01
DAV: 11 -0.846569197756E+03 0.69931E-03 -0.65569E-03 3111 0.206E-01 0.348E-01
DAV: 12 -0.846569739601E+03 -0.54184E-03 -0.72901E-03 3048 0.246E-01 0.121E-01
DAV: 13 -0.846572745028E+03 -0.30054E-02 -0.44338E-03 3228 0.212E-01 0.138E-01
DAV: 14 -0.846576738703E+03 -0.39937E-02 -0.30283E-03 3093 0.146E-01 0.980E-02
DAV: 15 -0.846581446522E+03 -0.47078E-02 -0.11168E-03 3093 0.872E-02 0.344E-02
DAV: 16 -0.846583940584E+03 -0.24941E-02 -0.48788E-04 3093 0.523E-02 0.382E-02
DAV: 17 -0.846585043688E+03 -0.11031E-02 -0.21736E-04 3102 0.372E-02 0.252E-02
DAV: 18 -0.846585734041E+03 -0.69035E-03 -0.31241E-05 2472 0.188E-02 0.133E-02
DAV: 19 -0.846586346485E+03 -0.61244E-03 -0.38744E-05 2643 0.212E-02 0.724E-03
DAV: 20 -0.846586453043E+03 -0.10656E-03 -0.29936E-05 2661 0.136E-02 0.597E-03
DAV: 21 -0.846586498035E+03 -0.44992E-04 -0.30789E-06 1995 0.432E-03 0.542E-03
DAV: 22 -0.846586524057E+03 -0.26022E-04 -0.20962E-06 1968 0.347E-03 0.246E-03
DAV: 23 -0.846586532132E+03 -0.80748E-05 -0.15629E-06 1995 0.299E-03
1 F= -.84658653E+03 E0= -.84659040E+03 d E =0.115959E-01