./iterations/neb0_image09_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 0.422403888215E+04 0.42240E+04 -0.23877E+05 2901 0.117E+03
DAV: 2 -0.430392803656E+03 -0.46544E+04 -0.45559E+04 3366 0.329E+02
DAV: 3 -0.943035755684E+03 -0.51264E+03 -0.51048E+03 3120 0.117E+02
DAV: 4 -0.955259569011E+03 -0.12224E+02 -0.12179E+02 3183 0.195E+01
DAV: 5 -0.955661979057E+03 -0.40241E+00 -0.40188E+00 3183 0.321E+00 0.813E+01
DAV: 6 -0.847641866445E+03 0.10802E+03 -0.47170E+02 3057 0.348E+01 0.376E+01
DAV: 7 -0.847086794948E+03 0.55507E+00 -0.14661E+01 3507 0.623E+00 0.147E+01
DAV: 8 -0.846739671680E+03 0.34712E+00 -0.16470E+00 3237 0.352E+00 0.606E+00
DAV: 9 -0.846642285437E+03 0.97386E-01 -0.66279E-01 3201 0.195E+00 0.133E+00
DAV: 10 -0.846619364236E+03 0.22921E-01 -0.16196E-01 3318 0.121E+00 0.133E+00
DAV: 11 -0.846606312101E+03 0.13052E-01 -0.80303E-02 3696 0.834E-01 0.116E+00
DAV: 12 -0.846604572871E+03 0.17392E-02 -0.10269E-01 3795 0.679E-01 0.764E-01
DAV: 13 -0.846593306301E+03 0.11267E-01 -0.12873E-01 3372 0.810E-01 0.851E-01
DAV: 14 -0.846585234205E+03 0.80721E-02 -0.36361E-02 3597 0.410E-01 0.306E-01
DAV: 15 -0.846585556406E+03 -0.32220E-03 -0.22312E-02 3066 0.417E-01 0.497E-01
DAV: 16 -0.846582514191E+03 0.30422E-02 -0.92150E-03 3264 0.241E-01 0.277E-01
DAV: 17 -0.846583164860E+03 -0.65067E-03 -0.46192E-03 3111 0.160E-01 0.177E-01
DAV: 18 -0.846584691700E+03 -0.15268E-02 -0.21946E-03 3048 0.117E-01 0.105E-01
DAV: 19 -0.846588207061E+03 -0.35154E-02 -0.25573E-03 3219 0.143E-01 0.134E-01
DAV: 20 -0.846590608028E+03 -0.24010E-02 -0.12995E-03 3084 0.834E-02 0.813E-02
DAV: 21 -0.846592218686E+03 -0.16107E-02 -0.45135E-04 3102 0.496E-02 0.563E-02
DAV: 22 -0.846593637623E+03 -0.14189E-02 -0.21796E-04 3084 0.343E-02 0.350E-02
DAV: 23 -0.846594823400E+03 -0.11858E-02 -0.91759E-05 2967 0.250E-02 0.202E-02
DAV: 24 -0.846595479642E+03 -0.65624E-03 -0.99682E-05 2643 0.302E-02 0.300E-02
DAV: 25 -0.846595780810E+03 -0.30117E-03 -0.45859E-05 2274 0.159E-02 0.899E-03
DAV: 26 -0.846595914471E+03 -0.13366E-03 -0.13751E-05 2004 0.101E-02 0.619E-03
DAV: 27 -0.846595992529E+03 -0.78059E-04 -0.83815E-06 1977 0.781E-03 0.376E-03
DAV: 28 -0.846596033464E+03 -0.40935E-04 -0.37481E-06 1959 0.506E-03 0.330E-03
DAV: 29 -0.846596047780E+03 -0.14316E-04 -0.19124E-06 1995 0.308E-03 0.238E-03
DAV: 30 -0.846596052548E+03 -0.47677E-05 -0.87749E-07 1986 0.214E-03
1 F= -.84659605E+03 E0= -.84664642E+03 d E =0.151117E+00