./iterations/neb0_image06_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 0.424014389289E+04 0.42401E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.427112568065E+03 -0.46673E+04 -0.45697E+04 3366 0.329E+02
DAV: 3 -0.942446037668E+03 -0.51533E+03 -0.51309E+03 3120 0.118E+02
DAV: 4 -0.954777772690E+03 -0.12332E+02 -0.12285E+02 3192 0.196E+01
DAV: 5 -0.955182366466E+03 -0.40459E+00 -0.40406E+00 3174 0.322E+00 0.812E+01
DAV: 6 -0.847171841458E+03 0.10801E+03 -0.47006E+02 3066 0.347E+01 0.375E+01
DAV: 7 -0.846620009115E+03 0.55183E+00 -0.14978E+01 3534 0.649E+00 0.148E+01
DAV: 8 -0.846279399930E+03 0.34061E+00 -0.13786E+00 3156 0.274E+00 0.585E+00
DAV: 9 -0.846210068732E+03 0.69331E-01 -0.55647E-01 3147 0.170E+00 0.102E+00
DAV: 10 -0.846203916740E+03 0.61520E-02 -0.62334E-02 3165 0.580E-01 0.707E-01
DAV: 11 -0.846197311967E+03 0.66048E-02 -0.19942E-02 3129 0.328E-01 0.346E-01
DAV: 12 -0.846193709269E+03 0.36027E-02 -0.38024E-03 3219 0.213E-01 0.142E-01
DAV: 13 -0.846192993657E+03 0.71561E-03 -0.47741E-03 3057 0.236E-01 0.128E-01
DAV: 14 -0.846197008180E+03 -0.40145E-02 -0.33040E-03 3084 0.151E-01 0.726E-02
DAV: 15 -0.846201398692E+03 -0.43905E-02 -0.10176E-03 3147 0.844E-02 0.429E-02
DAV: 16 -0.846203429748E+03 -0.20311E-02 -0.40706E-04 3138 0.453E-02 0.377E-02
DAV: 17 -0.846204874849E+03 -0.14451E-02 -0.76332E-05 3039 0.234E-02 0.213E-02
DAV: 18 -0.846206142349E+03 -0.12675E-02 -0.88540E-05 2859 0.294E-02 0.115E-02
DAV: 19 -0.846206477158E+03 -0.33481E-03 -0.45777E-05 2805 0.167E-02 0.861E-03
DAV: 20 -0.846206632816E+03 -0.15566E-03 -0.49702E-06 1977 0.547E-03 0.668E-03
DAV: 21 -0.846206735867E+03 -0.10305E-03 -0.48866E-06 1977 0.510E-03 0.263E-03
DAV: 22 -0.846206781119E+03 -0.45252E-04 -0.33709E-06 1986 0.478E-03 0.131E-03
DAV: 23 -0.846206788228E+03 -0.71085E-05 -0.16178E-06 1995 0.310E-03
1 F= -.84620679E+03 E0= -.84621067E+03 d E =0.116603E-01