./iterations/neb0_image06_iter69_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 0.423964264713E+04 0.42396E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428430153379E+03 -0.46681E+04 -0.45710E+04 3375 0.329E+02
DAV: 3 -0.942482730172E+03 -0.51405E+03 -0.51182E+03 3120 0.117E+02
DAV: 4 -0.954730953705E+03 -0.12248E+02 -0.12203E+02 3192 0.196E+01
DAV: 5 -0.955131949311E+03 -0.40100E+00 -0.40046E+00 3174 0.320E+00 0.812E+01
DAV: 6 -0.847183014749E+03 0.10795E+03 -0.46991E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846650392450E+03 0.53262E+00 -0.14874E+01 3525 0.645E+00 0.147E+01
DAV: 8 -0.846307757879E+03 0.34263E+00 -0.13100E+00 3156 0.271E+00 0.586E+00
DAV: 9 -0.846240356038E+03 0.67402E-01 -0.54812E-01 3147 0.173E+00 0.101E+00
DAV: 10 -0.846234997579E+03 0.53585E-02 -0.63786E-02 3129 0.589E-01 0.703E-01
DAV: 11 -0.846228435503E+03 0.65621E-02 -0.19777E-02 3138 0.328E-01 0.347E-01
DAV: 12 -0.846224857324E+03 0.35782E-02 -0.36739E-03 3201 0.211E-01 0.145E-01
DAV: 13 -0.846224114921E+03 0.74240E-03 -0.49029E-03 3111 0.244E-01 0.127E-01
DAV: 14 -0.846228019379E+03 -0.39045E-02 -0.34365E-03 3102 0.154E-01 0.750E-02
DAV: 15 -0.846232193696E+03 -0.41743E-02 -0.95655E-04 3156 0.808E-02 0.428E-02
DAV: 16 -0.846234388952E+03 -0.21953E-02 -0.41825E-04 3102 0.478E-02 0.352E-02
DAV: 17 -0.846236215184E+03 -0.18262E-02 -0.11585E-04 3057 0.286E-02 0.187E-02
DAV: 18 -0.846237151071E+03 -0.93589E-03 -0.69940E-05 2895 0.258E-02 0.102E-02
DAV: 19 -0.846237505040E+03 -0.35397E-03 -0.41487E-05 2904 0.158E-02 0.770E-03
DAV: 20 -0.846237644327E+03 -0.13929E-03 -0.48055E-06 2022 0.611E-03 0.573E-03
DAV: 21 -0.846237730905E+03 -0.86578E-04 -0.59492E-06 1968 0.609E-03 0.276E-03
DAV: 22 -0.846237763771E+03 -0.32866E-04 -0.33439E-06 1986 0.516E-03 0.138E-03
DAV: 23 -0.846237767758E+03 -0.39863E-05 -0.19547E-06 2031 0.359E-03
1 F= -.84623777E+03 E0= -.84624210E+03 d E =0.129901E-01