./neb0_image06_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 0.423964663079E+04 0.42396E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428470080521E+03 -0.46681E+04 -0.45711E+04 3375 0.329E+02
DAV: 3 -0.942484151068E+03 -0.51401E+03 -0.51178E+03 3120 0.117E+02
DAV: 4 -0.954730718849E+03 -0.12247E+02 -0.12201E+02 3192 0.196E+01
DAV: 5 -0.955131644291E+03 -0.40093E+00 -0.40040E+00 3174 0.320E+00 0.812E+01
DAV: 6 -0.847187839267E+03 0.10794E+03 -0.46995E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846654839020E+03 0.53300E+00 -0.14818E+01 3534 0.644E+00 0.147E+01
DAV: 8 -0.846312991126E+03 0.34185E+00 -0.13132E+00 3147 0.271E+00 0.586E+00
DAV: 9 -0.846246113411E+03 0.66878E-01 -0.54511E-01 3147 0.172E+00 0.101E+00
DAV: 10 -0.846241086970E+03 0.50264E-02 -0.63172E-02 3129 0.585E-01 0.702E-01
DAV: 11 -0.846234668416E+03 0.64186E-02 -0.19492E-02 3129 0.327E-01 0.345E-01
DAV: 12 -0.846231202714E+03 0.34657E-02 -0.37017E-03 3228 0.210E-01 0.144E-01
DAV: 13 -0.846230575516E+03 0.62720E-03 -0.48488E-03 3120 0.242E-01 0.128E-01
DAV: 14 -0.846234469572E+03 -0.38941E-02 -0.33825E-03 3093 0.152E-01 0.751E-02
DAV: 15 -0.846238594366E+03 -0.41248E-02 -0.93417E-04 3156 0.796E-02 0.423E-02
DAV: 16 -0.846240829900E+03 -0.22355E-02 -0.41963E-04 3120 0.479E-02 0.345E-02
DAV: 17 -0.846242682607E+03 -0.18527E-02 -0.12018E-04 3048 0.292E-02 0.183E-02
DAV: 18 -0.846243593344E+03 -0.91074E-03 -0.68453E-05 2886 0.256E-02 0.977E-03
DAV: 19 -0.846243943106E+03 -0.34976E-03 -0.40786E-05 2922 0.157E-02 0.759E-03
DAV: 20 -0.846244074243E+03 -0.13114E-03 -0.46862E-06 2022 0.604E-03 0.576E-03
DAV: 21 -0.846244153928E+03 -0.79684E-04 -0.54067E-06 1968 0.594E-03 0.271E-03
DAV: 22 -0.846244184422E+03 -0.30495E-04 -0.33662E-06 1986 0.530E-03 0.140E-03
DAV: 23 -0.846244187914E+03 -0.34911E-05 -0.20465E-06 2031 0.379E-03
1 F= -.84624419E+03 E0= -.84624855E+03 d E =0.130919E-01