./iterations/neb0_image02_iter29_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 0.423228428413E+04 0.42323E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430536789797E+03 -0.46628E+04 -0.45622E+04 3366 0.329E+02
DAV: 3 -0.943287761889E+03 -0.51275E+03 -0.51056E+03 3120 0.117E+02
DAV: 4 -0.955493863016E+03 -0.12206E+02 -0.12161E+02 3183 0.195E+01
DAV: 5 -0.955895522636E+03 -0.40166E+00 -0.40112E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847771067697E+03 0.10812E+03 -0.47103E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847301503832E+03 0.46956E+00 -0.14434E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.846970788639E+03 0.33072E+00 -0.96648E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846928009802E+03 0.42779E-01 -0.40978E-01 3183 0.151E+00 0.857E-01
DAV: 10 -0.846935344361E+03 -0.73346E-02 -0.71349E-02 3111 0.600E-01 0.593E-01
DAV: 11 -0.846935638727E+03 -0.29437E-03 -0.65802E-03 3120 0.209E-01 0.336E-01
DAV: 12 -0.846937420702E+03 -0.17820E-02 -0.67976E-03 3057 0.239E-01 0.117E-01
DAV: 13 -0.846940920212E+03 -0.34995E-02 -0.41830E-03 3228 0.206E-01 0.132E-01
DAV: 14 -0.846944924098E+03 -0.40039E-02 -0.27814E-03 3102 0.138E-01 0.923E-02
DAV: 15 -0.846949564908E+03 -0.46408E-02 -0.11165E-03 3093 0.847E-02 0.340E-02
DAV: 16 -0.846951885027E+03 -0.23201E-02 -0.42438E-04 3102 0.486E-02 0.359E-02
DAV: 17 -0.846952964365E+03 -0.10793E-02 -0.19950E-04 3093 0.352E-02 0.243E-02
DAV: 18 -0.846953636579E+03 -0.67221E-03 -0.28705E-05 2436 0.189E-02 0.131E-02
DAV: 19 -0.846954165887E+03 -0.52931E-03 -0.38021E-05 2652 0.209E-02 0.661E-03
DAV: 20 -0.846954264227E+03 -0.98341E-04 -0.27611E-05 2463 0.136E-02 0.617E-03
DAV: 21 -0.846954304233E+03 -0.40006E-04 -0.37871E-06 1986 0.488E-03 0.556E-03
DAV: 22 -0.846954323653E+03 -0.19420E-04 -0.22212E-06 1995 0.363E-03 0.262E-03
DAV: 23 -0.846954331069E+03 -0.74161E-05 -0.18138E-06 1986 0.319E-03
1 F= -.84695433E+03 E0= -.84695820E+03 d E =0.115958E-01