./iterations/neb0_image01_iter11_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 0.422954957726E+04 0.42295E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430847101066E+03 -0.46604E+04 -0.45571E+04 3360 0.329E+02
DAV: 3 -0.943402489411E+03 -0.51256E+03 -0.51035E+03 3120 0.117E+02
DAV: 4 -0.955609337483E+03 -0.12207E+02 -0.12162E+02 3174 0.195E+01
DAV: 5 -0.956011408850E+03 -0.40207E+00 -0.40153E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847818053227E+03 0.10819E+03 -0.47168E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847351370935E+03 0.46668E+00 -0.14390E+01 3543 0.607E+00 0.146E+01
DAV: 8 -0.847018677606E+03 0.33269E+00 -0.95925E-01 3147 0.236E+00 0.593E+00
DAV: 9 -0.846976529964E+03 0.42148E-01 -0.41034E-01 3192 0.149E+00 0.856E-01
DAV: 10 -0.846983269027E+03 -0.67391E-02 -0.68931E-02 3102 0.586E-01 0.585E-01
DAV: 11 -0.846983257075E+03 0.11952E-04 -0.64593E-03 3129 0.209E-01 0.328E-01
DAV: 12 -0.846984786103E+03 -0.15290E-02 -0.69182E-03 3048 0.242E-01 0.115E-01
DAV: 13 -0.846987933772E+03 -0.31477E-02 -0.41027E-03 3183 0.203E-01 0.132E-01
DAV: 14 -0.846991639393E+03 -0.37056E-02 -0.26101E-03 3093 0.133E-01 0.924E-02
DAV: 15 -0.846996438687E+03 -0.47993E-02 -0.11579E-03 3048 0.888E-02 0.356E-02
DAV: 16 -0.846998571533E+03 -0.21328E-02 -0.42648E-04 3111 0.475E-02 0.358E-02
DAV: 17 -0.846999568229E+03 -0.99670E-03 -0.15578E-04 3084 0.307E-02 0.231E-02
DAV: 18 -0.847000315427E+03 -0.74720E-03 -0.27310E-05 2355 0.175E-02 0.126E-02
DAV: 19 -0.847000830590E+03 -0.51516E-03 -0.33669E-05 2607 0.196E-02 0.743E-03
DAV: 20 -0.847000933093E+03 -0.10250E-03 -0.32761E-05 2724 0.150E-02 0.675E-03
DAV: 21 -0.847000962916E+03 -0.29823E-04 -0.37536E-06 2013 0.468E-03 0.591E-03
DAV: 22 -0.847000980530E+03 -0.17613E-04 -0.19315E-06 1986 0.332E-03 0.295E-03
DAV: 23 -0.847000988840E+03 -0.83101E-05 -0.15242E-06 1977 0.303E-03
1 F= -.84700099E+03 E0= -.84700485E+03 d E =0.115958E-01