./iterations/neb0_image04_iter37_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 0.423976729100E+04 0.42398E+04 -0.23870E+05 2892 0.117E+03
DAV: 2 -0.426486061444E+03 -0.46663E+04 -0.45704E+04 3348 0.329E+02
DAV: 3 -0.942638536544E+03 -0.51615E+03 -0.51391E+03 3120 0.118E+02
DAV: 4 -0.955034328942E+03 -0.12396E+02 -0.12349E+02 3192 0.197E+01
DAV: 5 -0.955443197566E+03 -0.40887E+00 -0.40831E+00 3201 0.322E+00 0.814E+01
DAV: 6 -0.847228504151E+03 0.10821E+03 -0.47106E+02 3111 0.348E+01 0.377E+01
DAV: 7 -0.846528436541E+03 0.70007E+00 -0.15098E+01 3534 0.668E+00 0.148E+01
DAV: 8 -0.846212360558E+03 0.31608E+00 -0.15452E+00 3120 0.282E+00 0.583E+00
DAV: 9 -0.846154111543E+03 0.58249E-01 -0.53565E-01 3138 0.163E+00 0.100E+00
DAV: 10 -0.846154655803E+03 -0.54426E-03 -0.61292E-02 3201 0.576E-01 0.725E-01
DAV: 11 -0.846153424540E+03 0.12313E-02 -0.14841E-02 3111 0.291E-01 0.353E-01
DAV: 12 -0.846153492903E+03 -0.68363E-04 -0.42031E-03 3192 0.235E-01 0.125E-01
DAV: 13 -0.846156832089E+03 -0.33392E-02 -0.51004E-03 3111 0.243E-01 0.126E-01
DAV: 14 -0.846162706417E+03 -0.58743E-02 -0.32732E-03 3129 0.148E-01 0.706E-02
DAV: 15 -0.846166337231E+03 -0.36308E-02 -0.73929E-04 3075 0.688E-02 0.417E-02
DAV: 16 -0.846168542708E+03 -0.22055E-02 -0.32733E-04 3093 0.459E-02 0.335E-02
DAV: 17 -0.846169968835E+03 -0.14261E-02 -0.13810E-04 3075 0.332E-02 0.234E-02
DAV: 18 -0.846170862781E+03 -0.89395E-03 -0.47005E-05 2760 0.268E-02 0.102E-02
DAV: 19 -0.846171124757E+03 -0.26198E-03 -0.45716E-05 2841 0.184E-02 0.695E-03
DAV: 20 -0.846171247088E+03 -0.12233E-03 -0.59278E-06 1977 0.833E-03 0.621E-03
DAV: 21 -0.846171309544E+03 -0.62456E-04 -0.54159E-06 2022 0.674E-03 0.362E-03
DAV: 22 -0.846171322013E+03 -0.12468E-04 -0.25810E-06 2004 0.387E-03 0.239E-03
DAV: 23 -0.846171325175E+03 -0.31622E-05 -0.78909E-07 2013 0.186E-03
1 F= -.84617133E+03 E0= -.84617519E+03 d E =0.115959E-01