./iterations/neb0_image05_iter69_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 0.422720273093E+04 0.42272E+04 -0.23876E+05 2901 0.117E+03
DAV: 2 -0.428345680539E+03 -0.46555E+04 -0.45594E+04 3360 0.329E+02
DAV: 3 -0.942508077489E+03 -0.51416E+03 -0.51190E+03 3120 0.117E+02
DAV: 4 -0.954833138331E+03 -0.12325E+02 -0.12278E+02 3192 0.196E+01
DAV: 5 -0.955238647410E+03 -0.40551E+00 -0.40497E+00 3201 0.321E+00 0.811E+01
DAV: 6 -0.847122346814E+03 0.10812E+03 -0.46993E+02 3066 0.347E+01 0.375E+01
DAV: 7 -0.846666395941E+03 0.45595E+00 -0.14852E+01 3561 0.640E+00 0.147E+01
DAV: 8 -0.846258437246E+03 0.40796E+00 -0.15187E+00 3390 0.353E+00 0.621E+00
DAV: 9 -0.846163361933E+03 0.95075E-01 -0.67863E-01 3183 0.200E+00 0.122E+00
DAV: 10 -0.846146149242E+03 0.17213E-01 -0.16910E-01 3129 0.954E-01 0.830E-01
DAV: 11 -0.846128263036E+03 0.17886E-01 -0.22238E-02 3552 0.685E-01 0.746E-01
DAV: 12 -0.846113392040E+03 0.14871E-01 -0.25502E-02 3228 0.524E-01 0.516E-01
DAV: 13 -0.846108991140E+03 0.44009E-02 -0.34418E-02 3849 0.577E-01 0.747E-01
DAV: 14 -0.846105055301E+03 0.39358E-02 -0.52904E-02 3579 0.390E-01 0.476E-01
DAV: 15 -0.846110411745E+03 -0.53564E-02 -0.36217E-02 3633 0.657E-01 0.895E-01
DAV: 16 -0.846099504535E+03 0.10907E-01 -0.13724E-02 3255 0.275E-01 0.391E-01
DAV: 17 -0.846099872009E+03 -0.36747E-03 -0.52036E-03 3084 0.170E-01 0.236E-01
DAV: 18 -0.846101024277E+03 -0.11523E-02 -0.29392E-03 3156 0.136E-01 0.112E-01
DAV: 19 -0.846103614239E+03 -0.25900E-02 -0.16206E-03 3174 0.107E-01 0.113E-01
DAV: 20 -0.846105984093E+03 -0.23699E-02 -0.82921E-04 3138 0.838E-02 0.596E-02
DAV: 21 -0.846108664085E+03 -0.26800E-02 -0.58282E-04 3075 0.564E-02 0.506E-02
DAV: 22 -0.846110188335E+03 -0.15243E-02 -0.34905E-04 3345 0.635E-02 0.710E-02
DAV: 23 -0.846110923382E+03 -0.73505E-03 -0.32535E-04 3093 0.513E-02 0.281E-02
DAV: 24 -0.846111660575E+03 -0.73719E-03 -0.15190E-04 3030 0.320E-02 0.605E-02
DAV: 25 -0.846111903978E+03 -0.24340E-03 -0.10488E-04 2868 0.327E-02 0.248E-02
DAV: 26 -0.846112119135E+03 -0.21516E-03 -0.48535E-05 2436 0.236E-02 0.149E-02
DAV: 27 -0.846112151773E+03 -0.32638E-04 -0.17757E-05 2013 0.959E-03 0.635E-03
DAV: 28 -0.846112175698E+03 -0.23925E-04 -0.50368E-06 1968 0.604E-03 0.864E-03
DAV: 29 -0.846112204685E+03 -0.28987E-04 -0.43441E-06 1977 0.459E-03 0.697E-03
DAV: 30 -0.846112207425E+03 -0.27405E-05 -0.15056E-06 2013 0.285E-03
1 F= -.84611221E+03 E0= -.84616121E+03 d E =0.147023E+00