./iterations/neb0_image03_iter61_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 0.423620450657E+04 0.42362E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.430196782573E+03 -0.46664E+04 -0.45667E+04 3363 0.329E+02
DAV: 3 -0.943137072540E+03 -0.51294E+03 -0.51073E+03 3120 0.117E+02
DAV: 4 -0.955366847202E+03 -0.12230E+02 -0.12184E+02 3183 0.195E+01
DAV: 5 -0.955769186381E+03 -0.40234E+00 -0.40181E+00 3210 0.321E+00 0.813E+01
DAV: 6 -0.847701156754E+03 0.10807E+03 -0.47044E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847236746574E+03 0.46441E+00 -0.14469E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846903754540E+03 0.33299E+00 -0.96376E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.846858526354E+03 0.45228E-01 -0.40712E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.846865312327E+03 -0.67860E-02 -0.74131E-02 3129 0.609E-01 0.598E-01
DAV: 11 -0.846865235154E+03 0.77173E-04 -0.66675E-03 3120 0.207E-01 0.344E-01
DAV: 12 -0.846866676453E+03 -0.14413E-02 -0.70332E-03 3075 0.241E-01 0.119E-01
DAV: 13 -0.846870348956E+03 -0.36725E-02 -0.44511E-03 3246 0.211E-01 0.136E-01
DAV: 14 -0.846874704935E+03 -0.43560E-02 -0.29708E-03 3075 0.143E-01 0.950E-02
DAV: 15 -0.846879408011E+03 -0.47031E-02 -0.11125E-03 3165 0.826E-02 0.338E-02
DAV: 16 -0.846881936194E+03 -0.25282E-02 -0.45537E-04 3093 0.499E-02 0.374E-02
DAV: 17 -0.846883005053E+03 -0.10689E-02 -0.21767E-04 3129 0.372E-02 0.255E-02
DAV: 18 -0.846883678440E+03 -0.67339E-03 -0.31308E-05 2463 0.194E-02 0.136E-02
DAV: 19 -0.846884264093E+03 -0.58565E-03 -0.40168E-05 2670 0.219E-02 0.698E-03
DAV: 20 -0.846884373939E+03 -0.10985E-03 -0.31845E-05 2706 0.143E-02 0.647E-03
DAV: 21 -0.846884415879E+03 -0.41940E-04 -0.31733E-06 1995 0.445E-03 0.565E-03
DAV: 22 -0.846884438440E+03 -0.22560E-04 -0.21450E-06 1995 0.339E-03 0.249E-03
DAV: 23 -0.846884447526E+03 -0.90859E-05 -0.15395E-06 1986 0.309E-03
1 F= -.84688445E+03 E0= -.84688831E+03 d E =0.115959E-01