./iterations/neb0_image08_iter47_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 0.423741689816E+04 0.42374E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.428134796730E+03 -0.46656E+04 -0.45666E+04 3357 0.329E+02
DAV: 3 -0.942898091200E+03 -0.51476E+03 -0.51258E+03 3120 0.118E+02
DAV: 4 -0.955172820839E+03 -0.12275E+02 -0.12229E+02 3183 0.196E+01
DAV: 5 -0.955576324203E+03 -0.40350E+00 -0.40295E+00 3201 0.321E+00 0.813E+01
DAV: 6 -0.847549444696E+03 0.10803E+03 -0.47153E+02 3084 0.348E+01 0.376E+01
DAV: 7 -0.846954372256E+03 0.59507E+00 -0.14798E+01 3516 0.636E+00 0.148E+01
DAV: 8 -0.846642483080E+03 0.31189E+00 -0.19640E+00 3183 0.353E+00 0.606E+00
DAV: 9 -0.846556826645E+03 0.85656E-01 -0.77537E-01 3390 0.218E+00 0.145E+00
DAV: 10 -0.846511915903E+03 0.44911E-01 -0.14774E-01 3327 0.976E-01 0.124E+00
DAV: 11 -0.846495166290E+03 0.16750E-01 -0.66320E-02 3444 0.930E-01 0.143E+00
DAV: 12 -0.846485986698E+03 0.91796E-02 -0.67478E-02 3894 0.802E-01 0.978E-01
DAV: 13 -0.846475894626E+03 0.10092E-01 -0.84191E-02 3660 0.524E-01 0.587E-01
DAV: 14 -0.846470030947E+03 0.58637E-02 -0.46027E-02 3309 0.502E-01 0.485E-01
DAV: 15 -0.846466283342E+03 0.37476E-02 -0.17783E-02 3309 0.267E-01 0.270E-01
DAV: 16 -0.846466803833E+03 -0.52049E-03 -0.11358E-02 3516 0.329E-01 0.441E-01
DAV: 17 -0.846465962252E+03 0.84158E-03 -0.20334E-02 3399 0.268E-01 0.483E-01
DAV: 18 -0.846466021734E+03 -0.59481E-04 -0.77285E-03 3201 0.211E-01 0.225E-01
DAV: 19 -0.846467158230E+03 -0.11365E-02 -0.29872E-03 3138 0.149E-01 0.105E-01
DAV: 20 -0.846470071277E+03 -0.29130E-02 -0.17576E-03 3039 0.105E-01 0.798E-02
DAV: 21 -0.846473392873E+03 -0.33216E-02 -0.59420E-04 3075 0.699E-02 0.800E-02
DAV: 22 -0.846475071080E+03 -0.16782E-02 -0.30806E-04 3093 0.401E-02 0.570E-02
DAV: 23 -0.846476176064E+03 -0.11050E-02 -0.92368E-05 3120 0.249E-02 0.405E-02
DAV: 24 -0.846476981691E+03 -0.80563E-03 -0.10364E-04 2787 0.260E-02 0.339E-02
DAV: 25 -0.846477341205E+03 -0.35951E-03 -0.34825E-05 2265 0.198E-02 0.153E-02
DAV: 26 -0.846477659470E+03 -0.31827E-03 -0.25491E-05 2283 0.146E-02 0.100E-02
DAV: 27 -0.846477739754E+03 -0.80284E-04 -0.10841E-05 1986 0.801E-03 0.794E-03
DAV: 28 -0.846477761554E+03 -0.21800E-04 -0.33329E-06 2004 0.427E-03 0.849E-03
DAV: 29 -0.846477815693E+03 -0.54138E-04 -0.32825E-06 1941 0.395E-03 0.473E-03
DAV: 30 -0.846477830497E+03 -0.14804E-04 -0.17523E-06 1995 0.327E-03 0.182E-03
DAV: 31 -0.846477837033E+03 -0.65357E-05 -0.87367E-07 1977 0.276E-03
1 F= -.84647784E+03 E0= -.84652675E+03 d E =0.146733E+00