./iterations/neb0_image01_iter20_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 0.422985935483E+04 0.42299E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430862340163E+03 -0.46607E+04 -0.45575E+04 3360 0.329E+02
DAV: 3 -0.943379136392E+03 -0.51252E+03 -0.51032E+03 3120 0.117E+02
DAV: 4 -0.955589782433E+03 -0.12211E+02 -0.12165E+02 3183 0.195E+01
DAV: 5 -0.955991260491E+03 -0.40148E+00 -0.40093E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847956656540E+03 0.10803E+03 -0.47119E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847496633209E+03 0.46002E+00 -0.14348E+01 3543 0.606E+00 0.146E+01
DAV: 8 -0.847162629055E+03 0.33400E+00 -0.95664E-01 3165 0.237E+00 0.593E+00
DAV: 9 -0.847119175474E+03 0.43454E-01 -0.41131E-01 3192 0.151E+00 0.858E-01
DAV: 10 -0.847126000881E+03 -0.68254E-02 -0.70802E-02 3111 0.598E-01 0.591E-01
DAV: 11 -0.847125983334E+03 0.17547E-04 -0.64865E-03 3120 0.208E-01 0.334E-01
DAV: 12 -0.847127484293E+03 -0.15010E-02 -0.69250E-03 3075 0.245E-01 0.116E-01
DAV: 13 -0.847130781577E+03 -0.32973E-02 -0.42851E-03 3201 0.210E-01 0.133E-01
DAV: 14 -0.847134652761E+03 -0.38712E-02 -0.28089E-03 3111 0.138E-01 0.930E-02
DAV: 15 -0.847139528898E+03 -0.48761E-02 -0.12842E-03 3066 0.904E-02 0.384E-02
DAV: 16 -0.847141613496E+03 -0.20846E-02 -0.38787E-04 3111 0.480E-02 0.370E-02
DAV: 17 -0.847142627890E+03 -0.10144E-02 -0.20766E-04 3084 0.340E-02 0.255E-02
DAV: 18 -0.847143345260E+03 -0.71737E-03 -0.26324E-05 2310 0.183E-02 0.140E-02
DAV: 19 -0.847143905757E+03 -0.56050E-03 -0.42482E-05 2706 0.216E-02 0.749E-03
DAV: 20 -0.847143996542E+03 -0.90784E-04 -0.34416E-05 2742 0.147E-02 0.718E-03
DAV: 21 -0.847144029384E+03 -0.32842E-04 -0.33555E-06 2004 0.424E-03 0.614E-03
DAV: 22 -0.847144050767E+03 -0.21383E-04 -0.21197E-06 1995 0.345E-03 0.287E-03
DAV: 23 -0.847144060259E+03 -0.94923E-05 -0.17508E-06 1977 0.326E-03
1 F= -.84714406E+03 E0= -.84714793E+03 d E =0.115958E-01