./iterations/neb0_image04_iter5_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 0.422506299820E+04 0.42251E+04 -0.23851E+05 2892 0.117E+03
DAV: 2 -0.426318529255E+03 -0.46514E+04 -0.45555E+04 3360 0.329E+02
DAV: 3 -0.939206197264E+03 -0.51289E+03 -0.51055E+03 3120 0.117E+02
DAV: 4 -0.951534940947E+03 -0.12329E+02 -0.12282E+02 3192 0.196E+01
DAV: 5 -0.951935598493E+03 -0.40066E+00 -0.40012E+00 3183 0.319E+00 0.813E+01
DAV: 6 -0.843385843756E+03 0.10855E+03 -0.47369E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.842873689551E+03 0.51215E+00 -0.14455E+01 3507 0.614E+00 0.146E+01
DAV: 8 -0.842530631693E+03 0.34306E+00 -0.96616E-01 3147 0.240E+00 0.595E+00
DAV: 9 -0.842486815097E+03 0.43817E-01 -0.41701E-01 3201 0.155E+00 0.881E-01
DAV: 10 -0.842490965819E+03 -0.41507E-02 -0.71684E-02 3120 0.603E-01 0.584E-01
DAV: 11 -0.842489402990E+03 0.15628E-02 -0.73383E-03 3165 0.216E-01 0.329E-01
DAV: 12 -0.842488951253E+03 0.45174E-03 -0.74460E-03 3156 0.253E-01 0.120E-01
DAV: 13 -0.842490850218E+03 -0.18990E-02 -0.43320E-03 3147 0.211E-01 0.133E-01
DAV: 14 -0.842494449026E+03 -0.35988E-02 -0.29601E-03 3075 0.146E-01 0.916E-02
DAV: 15 -0.842498619419E+03 -0.41704E-02 -0.92409E-04 3111 0.831E-02 0.332E-02
DAV: 16 -0.842501173001E+03 -0.25536E-02 -0.49559E-04 3093 0.495E-02 0.336E-02
DAV: 17 -0.842502446415E+03 -0.12734E-02 -0.16485E-04 3075 0.322E-02 0.233E-02
DAV: 18 -0.842503152063E+03 -0.70565E-03 -0.35251E-05 2625 0.172E-02 0.137E-02
DAV: 19 -0.842503702016E+03 -0.54995E-03 -0.29395E-05 2490 0.173E-02 0.710E-03
DAV: 20 -0.842503854025E+03 -0.15201E-03 -0.24751E-05 2337 0.140E-02 0.489E-03
DAV: 21 -0.842503902549E+03 -0.48525E-04 -0.62769E-06 2031 0.638E-03 0.544E-03
DAV: 22 -0.842503923900E+03 -0.21351E-04 -0.21987E-06 1986 0.340E-03 0.328E-03
DAV: 23 -0.842503932315E+03 -0.84150E-05 -0.24077E-06 2022 0.335E-03
1 F= -.84250393E+03 E0= -.84251252E+03 d E =0.257544E-01