./iterations/neb0_image02_iter10_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 0.422849697372E+04 0.42285E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.431714196754E+03 -0.46602E+04 -0.45604E+04 3375 0.329E+02
DAV: 3 -0.943004398046E+03 -0.51129E+03 -0.50911E+03 3120 0.117E+02
DAV: 4 -0.955172040095E+03 -0.12168E+02 -0.12123E+02 3183 0.195E+01
DAV: 5 -0.955572593443E+03 -0.40055E+00 -0.40003E+00 3210 0.320E+00 0.812E+01
DAV: 6 -0.847320086110E+03 0.10825E+03 -0.47190E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.846859967887E+03 0.46012E+00 -0.14458E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846533708823E+03 0.32626E+00 -0.95611E-01 3156 0.233E+00 0.596E+00
DAV: 9 -0.846496553438E+03 0.37155E-01 -0.40975E-01 3192 0.149E+00 0.855E-01
DAV: 10 -0.846503950624E+03 -0.73972E-02 -0.67757E-02 3111 0.577E-01 0.589E-01
DAV: 11 -0.846504210016E+03 -0.25939E-03 -0.66072E-03 3120 0.207E-01 0.328E-01
DAV: 12 -0.846505851962E+03 -0.16419E-02 -0.64457E-03 3057 0.231E-01 0.114E-01
DAV: 13 -0.846508958768E+03 -0.31068E-02 -0.39094E-03 3156 0.197E-01 0.129E-01
DAV: 14 -0.846512571623E+03 -0.36129E-02 -0.24438E-03 3111 0.129E-01 0.889E-02
DAV: 15 -0.846517218456E+03 -0.46468E-02 -0.11457E-03 3066 0.874E-02 0.363E-02
DAV: 16 -0.846519185182E+03 -0.19667E-02 -0.39591E-04 3129 0.478E-02 0.355E-02
DAV: 17 -0.846520130211E+03 -0.94503E-03 -0.16870E-04 3102 0.316E-02 0.230E-02
DAV: 18 -0.846520858877E+03 -0.72867E-03 -0.27471E-05 2319 0.186E-02 0.115E-02
DAV: 19 -0.846521325987E+03 -0.46711E-03 -0.33767E-05 2553 0.196E-02 0.631E-03
DAV: 20 -0.846521431602E+03 -0.10562E-03 -0.26990E-05 2445 0.140E-02 0.604E-03
DAV: 21 -0.846521463200E+03 -0.31597E-04 -0.38898E-06 2004 0.470E-03 0.545E-03
DAV: 22 -0.846521480919E+03 -0.17719E-04 -0.19781E-06 1977 0.324E-03 0.242E-03
DAV: 23 -0.846521489349E+03 -0.84299E-05 -0.14789E-06 1977 0.300E-03
1 F= -.84652149E+03 E0= -.84652535E+03 d E =0.115958E-01