./iterations/neb0_image02_iter65_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 0.423403301902E+04 0.42340E+04 -0.23866E+05 2892 0.117E+03
DAV: 2 -0.430479652352E+03 -0.46645E+04 -0.45630E+04 3366 0.329E+02
DAV: 3 -0.943370869237E+03 -0.51289E+03 -0.51068E+03 3120 0.117E+02
DAV: 4 -0.955564834655E+03 -0.12194E+02 -0.12149E+02 3183 0.195E+01
DAV: 5 -0.955965094972E+03 -0.40026E+00 -0.39971E+00 3192 0.320E+00 0.813E+01
DAV: 6 -0.847953239306E+03 0.10801E+03 -0.47051E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847487569827E+03 0.46567E+00 -0.14410E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847151496956E+03 0.33607E+00 -0.96287E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.847104199278E+03 0.47298E-01 -0.40806E-01 3192 0.151E+00 0.854E-01
DAV: 10 -0.847111009925E+03 -0.68106E-02 -0.72605E-02 3102 0.603E-01 0.595E-01
DAV: 11 -0.847111054898E+03 -0.44974E-04 -0.66619E-03 3120 0.207E-01 0.338E-01
DAV: 12 -0.847112611991E+03 -0.15571E-02 -0.70128E-03 3039 0.241E-01 0.118E-01
DAV: 13 -0.847116201888E+03 -0.35899E-02 -0.44831E-03 3210 0.212E-01 0.135E-01
DAV: 14 -0.847120434904E+03 -0.42330E-02 -0.29091E-03 3111 0.141E-01 0.941E-02
DAV: 15 -0.847125251598E+03 -0.48167E-02 -0.11704E-03 3102 0.831E-02 0.346E-02
DAV: 16 -0.847127636970E+03 -0.23854E-02 -0.42099E-04 3111 0.481E-02 0.373E-02
DAV: 17 -0.847128716792E+03 -0.10798E-02 -0.21064E-04 3093 0.355E-02 0.253E-02
DAV: 18 -0.847129429382E+03 -0.71259E-03 -0.30839E-05 2472 0.194E-02 0.134E-02
DAV: 19 -0.847129987710E+03 -0.55833E-03 -0.38829E-05 2706 0.211E-02 0.696E-03
DAV: 20 -0.847130095937E+03 -0.10823E-03 -0.30005E-05 2625 0.142E-02 0.638E-03
DAV: 21 -0.847130132228E+03 -0.36292E-04 -0.34139E-06 1995 0.434E-03 0.569E-03
DAV: 22 -0.847130152193E+03 -0.19965E-04 -0.19386E-06 1995 0.324E-03 0.265E-03
DAV: 23 -0.847130161204E+03 -0.90116E-05 -0.15898E-06 1986 0.313E-03
1 F= -.84713016E+03 E0= -.84713403E+03 d E =0.115958E-01