./iterations/neb0_image03_iter59_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 0.423621664156E+04 0.42362E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.430173358035E+03 -0.46664E+04 -0.45667E+04 3363 0.329E+02
DAV: 3 -0.943124797050E+03 -0.51295E+03 -0.51074E+03 3120 0.117E+02
DAV: 4 -0.955355626917E+03 -0.12231E+02 -0.12185E+02 3183 0.195E+01
DAV: 5 -0.955758027268E+03 -0.40240E+00 -0.40187E+00 3210 0.321E+00 0.813E+01
DAV: 6 -0.847693415551E+03 0.10806E+03 -0.47044E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847229129973E+03 0.46429E+00 -0.14464E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846895644296E+03 0.33349E+00 -0.96349E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.846850396530E+03 0.45248E-01 -0.40722E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.846857201327E+03 -0.68048E-02 -0.74356E-02 3120 0.610E-01 0.599E-01
DAV: 11 -0.846857133277E+03 0.68050E-04 -0.67052E-03 3129 0.207E-01 0.345E-01
DAV: 12 -0.846858578869E+03 -0.14456E-02 -0.70366E-03 3075 0.241E-01 0.120E-01
DAV: 13 -0.846862257152E+03 -0.36783E-02 -0.44864E-03 3246 0.212E-01 0.136E-01
DAV: 14 -0.846866628831E+03 -0.43717E-02 -0.29809E-03 3075 0.144E-01 0.952E-02
DAV: 15 -0.846871307111E+03 -0.46783E-02 -0.10977E-03 3183 0.815E-02 0.337E-02
DAV: 16 -0.846873873382E+03 -0.25663E-02 -0.46133E-04 3084 0.500E-02 0.376E-02
DAV: 17 -0.846874943541E+03 -0.10702E-02 -0.22178E-04 3147 0.375E-02 0.257E-02
DAV: 18 -0.846875611960E+03 -0.66842E-03 -0.31672E-05 2499 0.194E-02 0.139E-02
DAV: 19 -0.846876206084E+03 -0.59412E-03 -0.40533E-05 2670 0.219E-02 0.701E-03
DAV: 20 -0.846876320168E+03 -0.11408E-03 -0.32229E-05 2706 0.145E-02 0.649E-03
DAV: 21 -0.846876362094E+03 -0.41926E-04 -0.32786E-06 2004 0.452E-03 0.569E-03
DAV: 22 -0.846876384017E+03 -0.21923E-04 -0.20995E-06 1986 0.332E-03 0.258E-03
DAV: 23 -0.846876393649E+03 -0.96314E-05 -0.15666E-06 1986 0.309E-03
1 F= -.84687639E+03 E0= -.84688026E+03 d E =0.115959E-01