./iterations/neb0_image05_iter13_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 0.422494875396E+04 0.42249E+04 -0.23848E+05 2892 0.117E+03
DAV: 2 -0.424900123424E+03 -0.46498E+04 -0.45541E+04 3369 0.329E+02
DAV: 3 -0.939435101368E+03 -0.51453E+03 -0.51221E+03 3120 0.118E+02
DAV: 4 -0.951829468373E+03 -0.12394E+02 -0.12348E+02 3201 0.196E+01
DAV: 5 -0.952232931815E+03 -0.40346E+00 -0.40295E+00 3183 0.320E+00 0.810E+01
DAV: 6 -0.844057663266E+03 0.10818E+03 -0.47268E+02 3057 0.348E+01 0.374E+01
DAV: 7 -0.843633314485E+03 0.42435E+00 -0.14370E+01 3525 0.614E+00 0.146E+01
DAV: 8 -0.843308388617E+03 0.32493E+00 -0.93557E-01 3147 0.233E+00 0.599E+00
DAV: 9 -0.843267839050E+03 0.40550E-01 -0.41019E-01 3192 0.149E+00 0.872E-01
DAV: 10 -0.843269398486E+03 -0.15594E-02 -0.69167E-02 3102 0.590E-01 0.570E-01
DAV: 11 -0.843266352326E+03 0.30462E-02 -0.70282E-03 3156 0.216E-01 0.323E-01
DAV: 12 -0.843263731144E+03 0.26212E-02 -0.68279E-03 3048 0.241E-01 0.119E-01
DAV: 13 -0.843264476664E+03 -0.74552E-03 -0.36179E-03 3120 0.194E-01 0.129E-01
DAV: 14 -0.843267365118E+03 -0.28885E-02 -0.25457E-03 3066 0.136E-01 0.884E-02
DAV: 15 -0.843272356232E+03 -0.49911E-02 -0.12258E-03 3057 0.106E-01 0.375E-02
DAV: 16 -0.843274377283E+03 -0.20211E-02 -0.55798E-04 3102 0.508E-02 0.335E-02
DAV: 17 -0.843275195530E+03 -0.81825E-03 -0.78716E-05 3147 0.223E-02 0.216E-02
DAV: 18 -0.843276191859E+03 -0.99633E-03 -0.51843E-05 2742 0.191E-02 0.133E-02
DAV: 19 -0.843276671641E+03 -0.47978E-03 -0.26666E-05 2346 0.170E-02 0.101E-02
DAV: 20 -0.843276802594E+03 -0.13095E-03 -0.23380E-05 2193 0.126E-02 0.646E-03
DAV: 21 -0.843276869370E+03 -0.66776E-04 -0.54140E-06 1995 0.625E-03 0.359E-03
DAV: 22 -0.843276906971E+03 -0.37601E-04 -0.56753E-06 2022 0.619E-03 0.308E-03
DAV: 23 -0.843276913660E+03 -0.66889E-05 -0.19718E-06 1995 0.360E-03
1 F= -.84327691E+03 E0= -.84328198E+03 d E =0.151961E-01