./iterations/neb0_image09_iter20_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 0.423579103169E+04 0.42358E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.426603002285E+03 -0.46624E+04 -0.45619E+04 3357 0.329E+02
DAV: 3 -0.942794257192E+03 -0.51619E+03 -0.51400E+03 3120 0.118E+02
DAV: 4 -0.955168566069E+03 -0.12374E+02 -0.12329E+02 3183 0.197E+01
DAV: 5 -0.955576038565E+03 -0.40747E+00 -0.40693E+00 3192 0.323E+00 0.812E+01
DAV: 6 -0.847579126680E+03 0.10800E+03 -0.47163E+02 3048 0.347E+01 0.376E+01
DAV: 7 -0.847028599865E+03 0.55053E+00 -0.14660E+01 3507 0.623E+00 0.147E+01
DAV: 8 -0.846692725398E+03 0.33587E+00 -0.18167E+00 3219 0.357E+00 0.611E+00
DAV: 9 -0.846619119490E+03 0.73606E-01 -0.78438E-01 3525 0.237E+00 0.147E+00
DAV: 10 -0.846594993967E+03 0.24126E-01 -0.15360E-01 3309 0.981E-01 0.117E+00
DAV: 11 -0.846583668821E+03 0.11325E-01 -0.48314E-02 3543 0.674E-01 0.108E+00
DAV: 12 -0.846555893731E+03 0.27775E-01 -0.27349E-02 3912 0.762E-01 0.795E-01
DAV: 13 -0.846539990309E+03 0.15903E-01 -0.94900E-02 3894 0.763E-01 0.675E-01
DAV: 14 -0.846537638287E+03 0.23520E-02 -0.32223E-02 3444 0.362E-01 0.422E-01
DAV: 15 -0.846538773087E+03 -0.11348E-02 -0.54026E-02 3489 0.545E-01 0.829E-01
DAV: 16 -0.846530742087E+03 0.80310E-02 -0.28108E-02 3750 0.347E-01 0.229E-01
DAV: 17 -0.846532111356E+03 -0.13693E-02 -0.14348E-02 3003 0.397E-01 0.311E-01
DAV: 18 -0.846533156774E+03 -0.10454E-02 -0.71668E-03 3111 0.180E-01 0.313E-01
DAV: 19 -0.846533251944E+03 -0.95169E-04 -0.32429E-03 3093 0.139E-01 0.174E-01
DAV: 20 -0.846536074996E+03 -0.28231E-02 -0.29771E-03 3102 0.128E-01 0.109E-01
DAV: 21 -0.846538248490E+03 -0.21735E-02 -0.15331E-03 3102 0.103E-01 0.883E-02
DAV: 22 -0.846541052669E+03 -0.28042E-02 -0.10076E-03 3093 0.853E-02 0.661E-02
DAV: 23 -0.846542146584E+03 -0.10939E-02 -0.43680E-04 3120 0.507E-02 0.308E-02
DAV: 24 -0.846543253595E+03 -0.11070E-02 -0.16970E-04 3084 0.262E-02 0.178E-02
DAV: 25 -0.846543865064E+03 -0.61147E-03 -0.61976E-05 2787 0.199E-02 0.217E-02
DAV: 26 -0.846544127857E+03 -0.26279E-03 -0.46572E-05 1986 0.219E-02 0.100E-02
DAV: 27 -0.846544281284E+03 -0.15343E-03 -0.25999E-05 2283 0.111E-02 0.715E-03
DAV: 28 -0.846544313669E+03 -0.32386E-04 -0.41692E-06 1995 0.514E-03 0.710E-03
DAV: 29 -0.846544328701E+03 -0.15031E-04 -0.26988E-06 1986 0.365E-03 0.514E-03
DAV: 30 -0.846544356138E+03 -0.27437E-04 -0.25010E-06 1950 0.409E-03 0.183E-03
DAV: 31 -0.846544361965E+03 -0.58266E-05 -0.99700E-07 2004 0.237E-03
1 F= -.84654436E+03 E0= -.84659356E+03 d E =0.147606E+00