./iterations/neb0_image05_iter2_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.423622238035E+04 0.42362E+04 -0.23869E+05 2892 0.117E+03 DAV: 2 -0.423474007486E+03 -0.46597E+04 -0.45608E+04 3360 0.329E+02 DAV: 3 -0.938194916411E+03 -0.51472E+03 -0.51233E+03 3120 0.118E+02 DAV: 4 -0.950519513025E+03 -0.12325E+02 -0.12278E+02 3201 0.196E+01 DAV: 5 -0.950919864120E+03 -0.40035E+00 -0.39984E+00 3192 0.319E+00 0.820E+01 DAV: 6 -0.840348414575E+03 0.11057E+03 -0.47848E+02 3057 0.350E+01 0.380E+01 DAV: 7 -0.839752163553E+03 0.59625E+00 -0.14941E+01 3453 0.633E+00 0.147E+01 DAV: 8 -0.839380271418E+03 0.37189E+00 -0.99725E-01 3192 0.238E+00 0.604E+00 DAV: 9 -0.839327265524E+03 0.53006E-01 -0.42963E-01 3165 0.159E+00 0.891E-01 DAV: 10 -0.839329016710E+03 -0.17512E-02 -0.75082E-02 3129 0.612E-01 0.595E-01 DAV: 11 -0.839326821684E+03 0.21950E-02 -0.87172E-03 3102 0.235E-01 0.334E-01 DAV: 12 -0.839325572741E+03 0.12489E-02 -0.68462E-03 3102 0.234E-01 0.130E-01 DAV: 13 -0.839326950016E+03 -0.13773E-02 -0.41516E-03 3129 0.211E-01 0.125E-01 DAV: 14 -0.839330075683E+03 -0.31257E-02 -0.26963E-03 3075 0.142E-01 0.962E-02 DAV: 15 -0.839333633768E+03 -0.35581E-02 -0.61749E-04 3057 0.614E-02 0.522E-02 DAV: 16 -0.839337450786E+03 -0.38170E-02 -0.78101E-04 3066 0.661E-02 0.316E-02 DAV: 17 -0.839339033201E+03 -0.15824E-02 -0.26333E-04 3120 0.360E-02 0.240E-02 DAV: 18 -0.839339733157E+03 -0.69996E-03 -0.40811E-05 2769 0.183E-02 0.163E-02 DAV: 19 -0.839340262990E+03 -0.52983E-03 -0.31205E-05 2553 0.152E-02 0.838E-03 DAV: 20 -0.839340655023E+03 -0.39203E-03 -0.20533E-05 2211 0.154E-02 0.601E-03 DAV: 21 -0.839340708924E+03 -0.53901E-04 -0.15344E-05 2040 0.964E-03 0.447E-03 DAV: 22 -0.839340725961E+03 -0.17037E-04 -0.28592E-06 2004 0.338E-03 0.393E-03 DAV: 23 -0.839340742157E+03 -0.16196E-04 -0.18220E-06 1986 0.225E-03 0.191E-03 DAV: 24 -0.839340747972E+03 -0.58147E-05 -0.86422E-07 1986 0.170E-03 1 F= -.83934075E+03 E0= -.83934493E+03 d E =0.125410E-01