iterations/neb0_image05_iter20_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.423090022621E+04 0.42309E+04 -0.23853E+05 2892 0.117E+03 DAV: 2 -0.425007935775E+03 -0.46559E+04 -0.45600E+04 3351 0.329E+02 DAV: 3 -0.940433841916E+03 -0.51543E+03 -0.51311E+03 3120 0.118E+02 DAV: 4 -0.952867903280E+03 -0.12434E+02 -0.12387E+02 3210 0.196E+01 DAV: 5 -0.953266366818E+03 -0.39846E+00 -0.39792E+00 3183 0.318E+00 0.808E+01 DAV: 6 -0.845267393692E+03 0.10800E+03 -0.47096E+02 3057 0.347E+01 0.374E+01 DAV: 7 -0.844865359686E+03 0.40203E+00 -0.14338E+01 3525 0.606E+00 0.145E+01 DAV: 8 -0.844526940047E+03 0.33842E+00 -0.93203E-01 3147 0.238E+00 0.602E+00 DAV: 9 -0.844459813244E+03 0.67127E-01 -0.32437E-01 3264 0.198E+00 0.174E+00 DAV: 10 -0.844429119616E+03 0.30694E-01 -0.90751E-02 3381 0.105E+00 0.108E+00 DAV: 11 -0.844436084397E+03 -0.69648E-02 -0.14197E-01 3192 0.724E-01 0.124E+00 DAV: 12 -0.844420084825E+03 0.16000E-01 -0.34263E-02 3507 0.713E-01 0.959E-01 DAV: 13 -0.844413324269E+03 0.67606E-02 -0.16663E-02 3327 0.322E-01 0.638E-01 DAV: 14 -0.844406475158E+03 0.68491E-02 -0.14076E-02 3327 0.328E-01 0.343E-01 DAV: 15 -0.844405534198E+03 0.94096E-03 -0.16840E-02 3345 0.361E-01 0.414E-01 DAV: 16 -0.844404728264E+03 0.80593E-03 -0.73603E-03 3228 0.193E-01 0.218E-01 DAV: 17 -0.844405357923E+03 -0.62966E-03 -0.16570E-03 3030 0.896E-02 0.118E-01 DAV: 18 -0.844407582068E+03 -0.22241E-02 -0.13472E-03 3003 0.997E-02 0.854E-02 DAV: 19 -0.844410523710E+03 -0.29416E-02 -0.11287E-03 3102 0.105E-01 0.615E-02 DAV: 20 -0.844412760011E+03 -0.22363E-02 -0.71088E-04 3111 0.635E-02 0.500E-02 DAV: 21 -0.844415047875E+03 -0.22879E-02 -0.27228E-04 3066 0.456E-02 0.312E-02 DAV: 22 -0.844416171669E+03 -0.11238E-02 -0.15032E-04 3102 0.287E-02 0.255E-02 DAV: 23 -0.844416608427E+03 -0.43676E-03 -0.54548E-05 2553 0.192E-02 0.143E-02 DAV: 24 -0.844416897909E+03 -0.28948E-03 -0.15741E-05 1995 0.132E-02 0.976E-03 DAV: 25 -0.844417181004E+03 -0.28310E-03 -0.19125E-05 2166 0.145E-02 0.741E-03 DAV: 26 -0.844417239637E+03 -0.58632E-04 -0.92485E-06 1986 0.685E-03 0.544E-03 DAV: 27 -0.844417259898E+03 -0.20261E-04 -0.18984E-06 1995 0.354E-03 0.398E-03 DAV: 28 -0.844417278345E+03 -0.18447E-04 -0.15947E-06 1950 0.243E-03 0.180E-03 DAV: 29 -0.844417287914E+03 -0.95688E-05 -0.59478E-07 1977 0.190E-03 1 F= -.84441729E+03 E0= -.84446650E+03 d E =0.147648E+00