./iterations/neb0_image09_iter26_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 0.423600089478E+04 0.42360E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426486259856E+03 -0.46625E+04 -0.45620E+04 3357 0.329E+02
DAV: 3 -0.942790313934E+03 -0.51630E+03 -0.51410E+03 3120 0.118E+02
DAV: 4 -0.955170997991E+03 -0.12381E+02 -0.12335E+02 3183 0.197E+01
DAV: 5 -0.955578502258E+03 -0.40750E+00 -0.40696E+00 3183 0.323E+00 0.812E+01
DAV: 6 -0.847613580009E+03 0.10796E+03 -0.47114E+02 3075 0.348E+01 0.376E+01
DAV: 7 -0.847037277305E+03 0.57630E+00 -0.14732E+01 3498 0.629E+00 0.148E+01
DAV: 8 -0.846703395356E+03 0.33388E+00 -0.18663E+00 3219 0.367E+00 0.608E+00
DAV: 9 -0.846607330016E+03 0.96065E-01 -0.70081E-01 3255 0.204E+00 0.138E+00
DAV: 10 -0.846598926469E+03 0.84035E-02 -0.15311E-01 3273 0.109E+00 0.123E+00
DAV: 11 -0.846575719425E+03 0.23207E-01 -0.50891E-02 3777 0.702E-01 0.911E-01
DAV: 12 -0.846558267417E+03 0.17452E-01 -0.10648E-01 4029 0.888E-01 0.999E-01
DAV: 13 -0.846553951870E+03 0.43155E-02 -0.51000E-02 3615 0.528E-01 0.557E-01
DAV: 14 -0.846549458466E+03 0.44934E-02 -0.85785E-02 3183 0.639E-01 0.770E-01
DAV: 15 -0.846542469025E+03 0.69894E-02 -0.21535E-02 3435 0.303E-01 0.252E-01
DAV: 16 -0.846544669076E+03 -0.22001E-02 -0.22317E-02 3066 0.408E-01 0.505E-01
DAV: 17 -0.846541615247E+03 0.30538E-02 -0.87788E-03 3192 0.195E-01 0.225E-01
DAV: 18 -0.846542940239E+03 -0.13250E-02 -0.44063E-03 3075 0.138E-01 0.150E-01
DAV: 19 -0.846545110743E+03 -0.21705E-02 -0.24900E-03 3426 0.124E-01 0.113E-01
DAV: 20 -0.846548903755E+03 -0.37930E-02 -0.17021E-03 3048 0.102E-01 0.122E-01
DAV: 21 -0.846550835969E+03 -0.19322E-02 -0.16162E-03 3453 0.979E-02 0.838E-02
DAV: 22 -0.846552010017E+03 -0.11740E-02 -0.54645E-04 3084 0.511E-02 0.552E-02
DAV: 23 -0.846553580186E+03 -0.15702E-02 -0.29972E-04 3084 0.462E-02 0.308E-02
DAV: 24 -0.846554409776E+03 -0.82959E-03 -0.13238E-04 3102 0.325E-02 0.196E-02
DAV: 25 -0.846554801070E+03 -0.39129E-03 -0.63218E-05 2598 0.227E-02 0.137E-02
DAV: 26 -0.846555021657E+03 -0.22059E-03 -0.26909E-05 2004 0.112E-02 0.574E-03
DAV: 27 -0.846555127189E+03 -0.10553E-03 -0.68715E-06 1977 0.692E-03 0.488E-03
DAV: 28 -0.846555180774E+03 -0.53585E-04 -0.46828E-06 1959 0.711E-03 0.238E-03
DAV: 29 -0.846555201232E+03 -0.20457E-04 -0.30216E-06 1986 0.425E-03 0.211E-03
DAV: 30 -0.846555207394E+03 -0.61619E-05 -0.94372E-07 1995 0.228E-03
1 F= -.84655521E+03 E0= -.84660443E+03 d E =0.147678E+00