./iterations/neb0_image02_iter45_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 0.423320186959E+04 0.42332E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430478486081E+03 -0.46637E+04 -0.45626E+04 3366 0.329E+02
DAV: 3 -0.943338908352E+03 -0.51286E+03 -0.51066E+03 3120 0.117E+02
DAV: 4 -0.955538916102E+03 -0.12200E+02 -0.12155E+02 3183 0.195E+01
DAV: 5 -0.955939518866E+03 -0.40060E+00 -0.40006E+00 3192 0.320E+00 0.812E+01
DAV: 6 -0.847888101066E+03 0.10805E+03 -0.47076E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847425714040E+03 0.46239E+00 -0.14424E+01 3534 0.608E+00 0.146E+01
DAV: 8 -0.847091505345E+03 0.33421E+00 -0.96148E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847045470533E+03 0.46035E-01 -0.40885E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.847052574204E+03 -0.71037E-02 -0.72913E-02 3102 0.606E-01 0.596E-01
DAV: 11 -0.847052693032E+03 -0.11883E-03 -0.66986E-03 3120 0.208E-01 0.341E-01
DAV: 12 -0.847054279526E+03 -0.15865E-02 -0.69920E-03 3039 0.241E-01 0.118E-01
DAV: 13 -0.847057814100E+03 -0.35346E-02 -0.44707E-03 3237 0.213E-01 0.135E-01
DAV: 14 -0.847062009055E+03 -0.41950E-02 -0.29706E-03 3093 0.143E-01 0.947E-02
DAV: 15 -0.847066689496E+03 -0.46804E-02 -0.11517E-03 3147 0.826E-02 0.346E-02
DAV: 16 -0.847069124171E+03 -0.24347E-02 -0.42602E-04 3102 0.484E-02 0.374E-02
DAV: 17 -0.847070203715E+03 -0.10795E-02 -0.22344E-04 3102 0.368E-02 0.258E-02
DAV: 18 -0.847070886596E+03 -0.68288E-03 -0.31281E-05 2454 0.196E-02 0.138E-02
DAV: 19 -0.847071463125E+03 -0.57653E-03 -0.40747E-05 2697 0.217E-02 0.703E-03
DAV: 20 -0.847071570458E+03 -0.10733E-03 -0.31194E-05 2652 0.143E-02 0.651E-03
DAV: 21 -0.847071609192E+03 -0.38734E-04 -0.34182E-06 1995 0.445E-03 0.580E-03
DAV: 22 -0.847071629624E+03 -0.20433E-04 -0.20076E-06 1995 0.329E-03 0.277E-03
DAV: 23 -0.847071638990E+03 -0.93660E-05 -0.16941E-06 1986 0.317E-03
1 F= -.84707164E+03 E0= -.84707550E+03 d E =0.115958E-01