./iterations/neb0_image07_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 0.423815356142E+04 0.42382E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.429037143238E+03 -0.46672E+04 -0.45692E+04 3375 0.329E+02
DAV: 3 -0.942828640002E+03 -0.51379E+03 -0.51160E+03 3120 0.117E+02
DAV: 4 -0.955052400754E+03 -0.12224E+02 -0.12179E+02 3183 0.195E+01
DAV: 5 -0.955453197398E+03 -0.40080E+00 -0.40025E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847544957042E+03 0.10791E+03 -0.47103E+02 3102 0.348E+01 0.376E+01
DAV: 7 -0.846837617454E+03 0.70734E+00 -0.14978E+01 3516 0.662E+00 0.149E+01
DAV: 8 -0.846583420950E+03 0.25420E+00 -0.29642E+00 3165 0.381E+00 0.607E+00
DAV: 9 -0.846459504713E+03 0.12392E+00 -0.78589E-01 3255 0.205E+00 0.149E+00
DAV: 10 -0.846462801224E+03 -0.32965E-02 -0.22313E-01 3354 0.127E+00 0.171E+00
DAV: 11 -0.846414575655E+03 0.48226E-01 -0.36464E-02 3552 0.748E-01 0.102E+00
DAV: 12 -0.846411438425E+03 0.31372E-02 -0.10476E-01 3336 0.652E-01 0.127E+00
DAV: 13 -0.846401332834E+03 0.10106E-01 -0.10153E-01 3804 0.561E-01 0.805E-01
DAV: 14 -0.846389744148E+03 0.11589E-01 -0.31583E-02 3084 0.510E-01 0.435E-01
DAV: 15 -0.846388828553E+03 0.91560E-03 -0.25463E-02 3192 0.322E-01 0.358E-01
DAV: 16 -0.846389423505E+03 -0.59495E-03 -0.13415E-02 3273 0.280E-01 0.541E-01
DAV: 17 -0.846386872224E+03 0.25513E-02 -0.41163E-03 3291 0.167E-01 0.309E-01
DAV: 18 -0.846388248660E+03 -0.13764E-02 -0.32371E-03 2985 0.119E-01 0.169E-01
DAV: 19 -0.846390120787E+03 -0.18721E-02 -0.13432E-03 3255 0.115E-01 0.858E-02
DAV: 20 -0.846393450553E+03 -0.33298E-02 -0.13972E-03 3057 0.104E-01 0.634E-02
DAV: 21 -0.846396114327E+03 -0.26638E-02 -0.75097E-04 3147 0.699E-02 0.741E-02
DAV: 22 -0.846397653581E+03 -0.15393E-02 -0.28730E-04 3093 0.405E-02 0.408E-02
DAV: 23 -0.846398721478E+03 -0.10679E-02 -0.11027E-04 3075 0.279E-02 0.301E-02
DAV: 24 -0.846399423838E+03 -0.70236E-03 -0.90775E-05 2823 0.216E-02 0.160E-02
DAV: 25 -0.846399649766E+03 -0.22593E-03 -0.28688E-05 2013 0.153E-02 0.164E-02
DAV: 26 -0.846399855502E+03 -0.20574E-03 -0.18203E-05 2013 0.110E-02 0.846E-03
DAV: 27 -0.846399958079E+03 -0.10258E-03 -0.11644E-05 1977 0.964E-03 0.783E-03
DAV: 28 -0.846399985828E+03 -0.27749E-04 -0.62293E-06 1986 0.699E-03 0.416E-03
DAV: 29 -0.846399996236E+03 -0.10408E-04 -0.23752E-06 2004 0.337E-03 0.333E-03
DAV: 30 -0.846400000388E+03 -0.41526E-05 -0.60364E-07 1995 0.162E-03
1 F= -.84640000E+03 E0= -.84644938E+03 d E =0.148150E+00