./iterations/neb0_image09_iter25_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 0.423586096879E+04 0.42359E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426497663429E+03 -0.46624E+04 -0.45618E+04 3357 0.329E+02
DAV: 3 -0.942769137108E+03 -0.51627E+03 -0.51407E+03 3120 0.118E+02
DAV: 4 -0.955149809283E+03 -0.12381E+02 -0.12335E+02 3183 0.197E+01
DAV: 5 -0.955557872315E+03 -0.40806E+00 -0.40753E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847603437023E+03 0.10795E+03 -0.47107E+02 3075 0.348E+01 0.376E+01
DAV: 7 -0.847033988704E+03 0.56945E+00 -0.14745E+01 3507 0.628E+00 0.148E+01
DAV: 8 -0.846701640423E+03 0.33235E+00 -0.18780E+00 3282 0.367E+00 0.611E+00
DAV: 9 -0.846610666363E+03 0.90974E-01 -0.72882E-01 3246 0.208E+00 0.149E+00
DAV: 10 -0.846606010317E+03 0.46560E-02 -0.16327E-01 3480 0.120E+00 0.121E+00
DAV: 11 -0.846580208965E+03 0.25801E-01 -0.37724E-02 3435 0.653E-01 0.787E-01
DAV: 12 -0.846558670604E+03 0.21538E-01 -0.24569E-02 4146 0.745E-01 0.683E-01
DAV: 13 -0.846557946601E+03 0.72400E-03 -0.11482E-01 3813 0.838E-01 0.112E+00
DAV: 14 -0.846543691548E+03 0.14255E-01 -0.95776E-02 3498 0.536E-01 0.334E-01
DAV: 15 -0.846541393705E+03 0.22978E-02 -0.14921E-02 3039 0.351E-01 0.247E-01
DAV: 16 -0.846540744721E+03 0.64898E-03 -0.10246E-02 3264 0.254E-01 0.223E-01
DAV: 17 -0.846543038788E+03 -0.22941E-02 -0.88578E-03 3750 0.260E-01 0.410E-01
DAV: 18 -0.846541783178E+03 0.12556E-02 -0.64121E-03 3129 0.185E-01 0.151E-01
DAV: 19 -0.846545048126E+03 -0.32649E-02 -0.34092E-03 3075 0.152E-01 0.188E-01
DAV: 20 -0.846546704000E+03 -0.16559E-02 -0.21003E-03 3120 0.129E-01 0.122E-01
DAV: 21 -0.846548943879E+03 -0.22399E-02 -0.13635E-03 3210 0.101E-01 0.740E-02
DAV: 22 -0.846551220676E+03 -0.22768E-02 -0.77080E-04 3084 0.653E-02 0.111E-01
DAV: 23 -0.846552191828E+03 -0.97115E-03 -0.50876E-04 3192 0.538E-02 0.538E-02
DAV: 24 -0.846553124025E+03 -0.93220E-03 -0.23769E-04 3129 0.293E-02 0.476E-02
DAV: 25 -0.846553373719E+03 -0.24969E-03 -0.63218E-05 2463 0.225E-02 0.266E-02
DAV: 26 -0.846553688357E+03 -0.31464E-03 -0.15060E-04 2688 0.326E-02 0.248E-02
DAV: 27 -0.846553855711E+03 -0.16735E-03 -0.31394E-05 2427 0.125E-02 0.230E-02
DAV: 28 -0.846553891656E+03 -0.35945E-04 -0.72741E-06 1995 0.681E-03 0.171E-02
DAV: 29 -0.846553929049E+03 -0.37393E-04 -0.89663E-06 1968 0.661E-03 0.961E-03
DAV: 30 -0.846553948411E+03 -0.19362E-04 -0.50152E-06 1968 0.589E-03 0.357E-03
DAV: 31 -0.846553953503E+03 -0.50924E-05 -0.21391E-06 2004 0.368E-03
1 F= -.84655395E+03 E0= -.84660272E+03 d E =0.146300E+00