./iterations/neb0_image08_iter65_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 0.423688446032E+04 0.42369E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428303981242E+03 -0.46652E+04 -0.45660E+04 3369 0.329E+02
DAV: 3 -0.942919698620E+03 -0.51462E+03 -0.51244E+03 3120 0.118E+02
DAV: 4 -0.955173162434E+03 -0.12253E+02 -0.12208E+02 3183 0.196E+01
DAV: 5 -0.955576009956E+03 -0.40285E+00 -0.40231E+00 3201 0.321E+00 0.813E+01
DAV: 6 -0.847606217037E+03 0.10797E+03 -0.47138E+02 3093 0.348E+01 0.376E+01
DAV: 7 -0.846981695154E+03 0.62452E+00 -0.14842E+01 3516 0.644E+00 0.148E+01
DAV: 8 -0.846674125729E+03 0.30757E+00 -0.19488E+00 3183 0.354E+00 0.606E+00
DAV: 9 -0.846595110370E+03 0.79015E-01 -0.82909E-01 3489 0.225E+00 0.152E+00
DAV: 10 -0.846546059332E+03 0.49051E-01 -0.15604E-01 3318 0.101E+00 0.145E+00
DAV: 11 -0.846516318745E+03 0.29741E-01 -0.46595E-02 3183 0.640E-01 0.974E-01
DAV: 12 -0.846517249332E+03 -0.93059E-03 -0.14964E-01 4227 0.852E-01 0.102E+00
DAV: 13 -0.846503575317E+03 0.13674E-01 -0.10595E-01 3525 0.563E-01 0.659E-01
DAV: 14 -0.846500866327E+03 0.27090E-02 -0.71213E-02 3651 0.501E-01 0.594E-01
DAV: 15 -0.846494256777E+03 0.66095E-02 -0.27165E-02 3516 0.333E-01 0.309E-01
DAV: 16 -0.846494133849E+03 0.12293E-03 -0.12335E-02 3156 0.262E-01 0.341E-01
DAV: 17 -0.846494308140E+03 -0.17429E-03 -0.79119E-03 3066 0.187E-01 0.394E-01
DAV: 18 -0.846494854310E+03 -0.54617E-03 -0.84995E-03 3417 0.201E-01 0.176E-01
DAV: 19 -0.846495972354E+03 -0.11180E-02 -0.29990E-03 3120 0.138E-01 0.118E-01
DAV: 20 -0.846498576819E+03 -0.26045E-02 -0.14312E-03 3039 0.931E-02 0.992E-02
DAV: 21 -0.846501211099E+03 -0.26343E-02 -0.54197E-04 3102 0.593E-02 0.692E-02
DAV: 22 -0.846503563077E+03 -0.23520E-02 -0.37876E-04 3093 0.495E-02 0.645E-02
DAV: 23 -0.846504909899E+03 -0.13468E-02 -0.40833E-04 3201 0.477E-02 0.244E-02
DAV: 24 -0.846505686631E+03 -0.77673E-03 -0.13677E-04 3129 0.276E-02 0.279E-02
DAV: 25 -0.846506099108E+03 -0.41248E-03 -0.52304E-05 2607 0.193E-02 0.141E-02
DAV: 26 -0.846506362792E+03 -0.26368E-03 -0.24749E-05 2094 0.124E-02 0.893E-03
DAV: 27 -0.846506481739E+03 -0.11895E-03 -0.93446E-06 1968 0.107E-02 0.575E-03
DAV: 28 -0.846506537549E+03 -0.55810E-04 -0.59312E-06 1986 0.564E-03 0.444E-03
DAV: 29 -0.846506562960E+03 -0.25410E-04 -0.22392E-06 1968 0.337E-03 0.284E-03
DAV: 30 -0.846506584075E+03 -0.21116E-04 -0.16125E-06 1950 0.369E-03 0.136E-03
DAV: 31 -0.846506588947E+03 -0.48720E-05 -0.12204E-06 1986 0.253E-03
1 F= -.84650659E+03 E0= -.84655649E+03 d E =0.149695E+00