./iterations/neb0_image01_iter60_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 0.423199140647E+04 0.42320E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430660069441E+03 -0.46627E+04 -0.45597E+04 3360 0.329E+02
DAV: 3 -0.943506887605E+03 -0.51285E+03 -0.51063E+03 3120 0.117E+02
DAV: 4 -0.955717661931E+03 -0.12211E+02 -0.12165E+02 3183 0.195E+01
DAV: 5 -0.956118719420E+03 -0.40106E+00 -0.40051E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.848049692550E+03 0.10807E+03 -0.47099E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847582295813E+03 0.46740E+00 -0.14377E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847245839814E+03 0.33646E+00 -0.95557E-01 3147 0.236E+00 0.593E+00
DAV: 9 -0.847200434501E+03 0.45405E-01 -0.41031E-01 3192 0.150E+00 0.857E-01
DAV: 10 -0.847206931633E+03 -0.64971E-02 -0.70263E-02 3147 0.594E-01 0.587E-01
DAV: 11 -0.847206787958E+03 0.14368E-03 -0.64411E-03 3120 0.208E-01 0.330E-01
DAV: 12 -0.847208291950E+03 -0.15040E-02 -0.70257E-03 3048 0.243E-01 0.117E-01
DAV: 13 -0.847211705024E+03 -0.34131E-02 -0.43021E-03 3201 0.208E-01 0.134E-01
DAV: 14 -0.847215702186E+03 -0.39972E-02 -0.27995E-03 3129 0.138E-01 0.936E-02
DAV: 15 -0.847220609289E+03 -0.49071E-02 -0.12312E-03 3048 0.876E-02 0.360E-02
DAV: 16 -0.847222789012E+03 -0.21797E-02 -0.40370E-04 3147 0.474E-02 0.365E-02
DAV: 17 -0.847223838016E+03 -0.10490E-02 -0.18624E-04 3084 0.330E-02 0.244E-02
DAV: 18 -0.847224574487E+03 -0.73647E-03 -0.27092E-05 2373 0.182E-02 0.135E-02
DAV: 19 -0.847225118175E+03 -0.54369E-03 -0.38974E-05 2670 0.208E-02 0.733E-03
DAV: 20 -0.847225214750E+03 -0.96575E-04 -0.33072E-05 2706 0.147E-02 0.692E-03
DAV: 21 -0.847225247493E+03 -0.32743E-04 -0.34917E-06 2004 0.440E-03 0.599E-03
DAV: 22 -0.847225267073E+03 -0.19580E-04 -0.20989E-06 1995 0.343E-03 0.276E-03
DAV: 23 -0.847225275276E+03 -0.82032E-05 -0.16148E-06 1977 0.306E-03
1 F= -.84722528E+03 E0= -.84722914E+03 d E =0.115958E-01