./iterations/neb0_image02_iter70_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 0.423444577615E+04 0.42344E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430531493944E+03 -0.46650E+04 -0.45632E+04 3366 0.329E+02
DAV: 3 -0.943404779549E+03 -0.51287E+03 -0.51067E+03 3120 0.117E+02
DAV: 4 -0.955591894934E+03 -0.12187E+02 -0.12142E+02 3183 0.195E+01
DAV: 5 -0.955992318592E+03 -0.40042E+00 -0.39988E+00 3201 0.320E+00 0.813E+01
DAV: 6 -0.847967312971E+03 0.10803E+03 -0.47051E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847497732174E+03 0.46958E+00 -0.14393E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847161528162E+03 0.33620E+00 -0.95815E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847114854083E+03 0.46674E-01 -0.40800E-01 3192 0.151E+00 0.855E-01
DAV: 10 -0.847121504824E+03 -0.66507E-02 -0.71723E-02 3102 0.602E-01 0.592E-01
DAV: 11 -0.847121517568E+03 -0.12744E-04 -0.66866E-03 3120 0.210E-01 0.334E-01
DAV: 12 -0.847123081172E+03 -0.15636E-02 -0.69295E-03 3039 0.240E-01 0.118E-01
DAV: 13 -0.847126718277E+03 -0.36371E-02 -0.44024E-03 3219 0.209E-01 0.134E-01
DAV: 14 -0.847130988563E+03 -0.42703E-02 -0.28846E-03 3111 0.141E-01 0.930E-02
DAV: 15 -0.847135799502E+03 -0.48109E-02 -0.11656E-03 3120 0.844E-02 0.343E-02
DAV: 16 -0.847138137867E+03 -0.23384E-02 -0.41283E-04 3111 0.476E-02 0.362E-02
DAV: 17 -0.847139228712E+03 -0.10908E-02 -0.19886E-04 3093 0.345E-02 0.249E-02
DAV: 18 -0.847139945098E+03 -0.71639E-03 -0.29549E-05 2445 0.193E-02 0.132E-02
DAV: 19 -0.847140482271E+03 -0.53717E-03 -0.39179E-05 2706 0.210E-02 0.677E-03
DAV: 20 -0.847140586427E+03 -0.10416E-03 -0.29723E-05 2616 0.141E-02 0.661E-03
DAV: 21 -0.847140621850E+03 -0.35423E-04 -0.34733E-06 1995 0.437E-03 0.576E-03
DAV: 22 -0.847140641266E+03 -0.19415E-04 -0.20556E-06 1995 0.332E-03 0.262E-03
DAV: 23 -0.847140649539E+03 -0.82730E-05 -0.16088E-06 1986 0.310E-03
1 F= -.84714065E+03 E0= -.84714451E+03 d E =0.115958E-01