./iterations/neb0_image03_iter70_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 0.423637992010E+04 0.42364E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.431314177298E+03 -0.46677E+04 -0.45681E+04 3372 0.329E+02
DAV: 3 -0.943193744144E+03 -0.51188E+03 -0.50969E+03 3120 0.117E+02
DAV: 4 -0.955352078661E+03 -0.12158E+02 -0.12113E+02 3183 0.195E+01
DAV: 5 -0.955751425897E+03 -0.39935E+00 -0.39882E+00 3210 0.319E+00 0.813E+01
DAV: 6 -0.847765731049E+03 0.10799E+03 -0.47022E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847306107458E+03 0.45962E+00 -0.14482E+01 3543 0.610E+00 0.146E+01
DAV: 8 -0.846970835766E+03 0.33527E+00 -0.97099E-01 3165 0.237E+00 0.593E+00
DAV: 9 -0.846924145229E+03 0.46691E-01 -0.40838E-01 3183 0.152E+00 0.854E-01
DAV: 10 -0.846931281494E+03 -0.71363E-02 -0.74606E-02 3129 0.612E-01 0.603E-01
DAV: 11 -0.846931437711E+03 -0.15622E-03 -0.68179E-03 3120 0.209E-01 0.346E-01
DAV: 12 -0.846933128532E+03 -0.16908E-02 -0.69655E-03 3075 0.242E-01 0.119E-01
DAV: 13 -0.846936936831E+03 -0.38083E-02 -0.45868E-03 3237 0.214E-01 0.136E-01
DAV: 14 -0.846941366236E+03 -0.44294E-02 -0.29969E-03 3093 0.143E-01 0.951E-02
DAV: 15 -0.846946044383E+03 -0.46781E-02 -0.11231E-03 3165 0.804E-02 0.342E-02
DAV: 16 -0.846948559509E+03 -0.25151E-02 -0.43916E-04 3102 0.492E-02 0.377E-02
DAV: 17 -0.846949641242E+03 -0.10817E-02 -0.23371E-04 3102 0.380E-02 0.263E-02
DAV: 18 -0.846950324773E+03 -0.68353E-03 -0.32962E-05 2553 0.199E-02 0.142E-02
DAV: 19 -0.846950903245E+03 -0.57847E-03 -0.41827E-05 2706 0.220E-02 0.693E-03
DAV: 20 -0.846951019937E+03 -0.11669E-03 -0.31475E-05 2679 0.145E-02 0.677E-03
DAV: 21 -0.846951059387E+03 -0.39450E-04 -0.35679E-06 2004 0.455E-03 0.596E-03
DAV: 22 -0.846951079723E+03 -0.20336E-04 -0.20641E-06 1986 0.323E-03 0.279E-03
DAV: 23 -0.846951089361E+03 -0.96374E-05 -0.16424E-06 1995 0.310E-03
1 F= -.84695109E+03 E0= -.84695495E+03 d E =0.115959E-01