./iterations/neb0_image01_iter18_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 0.422935410769E+04 0.42294E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.430930213015E+03 -0.46603E+04 -0.45570E+04 3360 0.329E+02
DAV: 3 -0.943383926470E+03 -0.51245E+03 -0.51025E+03 3120 0.117E+02
DAV: 4 -0.955593195698E+03 -0.12209E+02 -0.12164E+02 3183 0.195E+01
DAV: 5 -0.955995121199E+03 -0.40193E+00 -0.40139E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847974408836E+03 0.10802E+03 -0.47121E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847517444255E+03 0.45696E+00 -0.14371E+01 3561 0.606E+00 0.146E+01
DAV: 8 -0.847182953997E+03 0.33449E+00 -0.96703E-01 3165 0.238E+00 0.592E+00
DAV: 9 -0.847138949873E+03 0.44004E-01 -0.41218E-01 3192 0.150E+00 0.856E-01
DAV: 10 -0.847145759847E+03 -0.68100E-02 -0.69757E-02 3138 0.593E-01 0.591E-01
DAV: 11 -0.847145740841E+03 0.19007E-04 -0.64555E-03 3120 0.209E-01 0.330E-01
DAV: 12 -0.847147217611E+03 -0.14768E-02 -0.68349E-03 3057 0.245E-01 0.115E-01
DAV: 13 -0.847150513978E+03 -0.32964E-02 -0.42961E-03 3210 0.210E-01 0.133E-01
DAV: 14 -0.847154351320E+03 -0.38373E-02 -0.27228E-03 3129 0.135E-01 0.925E-02
DAV: 15 -0.847159207593E+03 -0.48563E-02 -0.12412E-03 3084 0.886E-02 0.371E-02
DAV: 16 -0.847161311693E+03 -0.21041E-02 -0.39676E-04 3120 0.477E-02 0.366E-02
DAV: 17 -0.847162324593E+03 -0.10129E-02 -0.19371E-04 3084 0.330E-02 0.252E-02
DAV: 18 -0.847163041587E+03 -0.71699E-03 -0.26321E-05 2319 0.184E-02 0.134E-02
DAV: 19 -0.847163588708E+03 -0.54712E-03 -0.41234E-05 2706 0.213E-02 0.715E-03
DAV: 20 -0.847163682499E+03 -0.93792E-04 -0.32410E-05 2679 0.145E-02 0.694E-03
DAV: 21 -0.847163713924E+03 -0.31424E-04 -0.34197E-06 2004 0.427E-03 0.607E-03
DAV: 22 -0.847163732756E+03 -0.18832E-04 -0.19572E-06 1995 0.326E-03 0.298E-03
DAV: 23 -0.847163742110E+03 -0.93541E-05 -0.16981E-06 1977 0.316E-03
1 F= -.84716374E+03 E0= -.84716761E+03 d E =0.115958E-01