iterations/neb0_image05_iter6_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 0.422406423620E+04 0.42241E+04 -0.23846E+05 2892 0.117E+03 DAV: 2 -0.423606076367E+03 -0.46477E+04 -0.45501E+04 3360 0.329E+02 DAV: 3 -0.937981626459E+03 -0.51438E+03 -0.51198E+03 3147 0.118E+02 DAV: 4 -0.950272566971E+03 -0.12291E+02 -0.12248E+02 3183 0.195E+01 DAV: 5 -0.950665635608E+03 -0.39307E+00 -0.39254E+00 3174 0.317E+00 0.812E+01 DAV: 6 -0.842296946404E+03 0.10837E+03 -0.47385E+02 3057 0.347E+01 0.376E+01 DAV: 7 -0.841786923956E+03 0.51002E+00 -0.14606E+01 3480 0.622E+00 0.146E+01 DAV: 8 -0.841444840714E+03 0.34208E+00 -0.10106E+00 3183 0.239E+00 0.603E+00 DAV: 9 -0.841409484749E+03 0.35356E-01 -0.43234E-01 3138 0.155E+00 0.103E+00 DAV: 10 -0.841403820752E+03 0.56640E-02 -0.82303E-02 3165 0.588E-01 0.680E-01 DAV: 11 -0.841402493837E+03 0.13269E-02 -0.11451E-02 3102 0.250E-01 0.331E-01 DAV: 12 -0.841400785122E+03 0.17087E-02 -0.60674E-03 3210 0.256E-01 0.130E-01 DAV: 13 -0.841401861198E+03 -0.10761E-02 -0.46495E-03 3084 0.216E-01 0.124E-01 DAV: 14 -0.841404668754E+03 -0.28076E-02 -0.20849E-03 3075 0.115E-01 0.900E-02 DAV: 15 -0.841407694316E+03 -0.30256E-02 -0.54896E-04 3111 0.565E-02 0.432E-02 DAV: 16 -0.841411708625E+03 -0.40143E-02 -0.89079E-04 3075 0.698E-02 0.385E-02 DAV: 17 -0.841412870338E+03 -0.11617E-02 -0.33463E-04 3102 0.384E-02 0.245E-02 DAV: 18 -0.841413738783E+03 -0.86845E-03 -0.34468E-05 2625 0.177E-02 0.166E-02 DAV: 19 -0.841414456597E+03 -0.71781E-03 -0.60060E-05 2769 0.252E-02 0.733E-03 DAV: 20 -0.841414602237E+03 -0.14564E-03 -0.30566E-05 2706 0.134E-02 0.729E-03 DAV: 21 -0.841414658468E+03 -0.56231E-04 -0.40069E-06 2040 0.428E-03 0.471E-03 DAV: 22 -0.841414698556E+03 -0.40088E-04 -0.33481E-06 2013 0.352E-03 0.263E-03 DAV: 23 -0.841414713769E+03 -0.15213E-04 -0.12058E-06 1995 0.367E-03 0.176E-03 DAV: 24 -0.841414717009E+03 -0.32409E-05 -0.14968E-06 2004 0.309E-03 1 F= -.84141472E+03 E0= -.84142234E+03 d E =0.228832E-01