./iterations/neb0_image07_iter27_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 0.423540755596E+04 0.42354E+04 -0.23860E+05 2892 0.117E+03
DAV: 2 -0.425437993977E+03 -0.46608E+04 -0.45637E+04 3348 0.329E+02
DAV: 3 -0.942335091294E+03 -0.51690E+03 -0.51462E+03 3120 0.118E+02
DAV: 4 -0.954748257161E+03 -0.12413E+02 -0.12367E+02 3192 0.196E+01
DAV: 5 -0.955151049807E+03 -0.40279E+00 -0.40225E+00 3192 0.320E+00 0.811E+01
DAV: 6 -0.847004307154E+03 0.10815E+03 -0.47112E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846546137228E+03 0.45817E+00 -0.14590E+01 3543 0.607E+00 0.146E+01
DAV: 8 -0.846190853915E+03 0.35528E+00 -0.95422E-01 3174 0.232E+00 0.598E+00
DAV: 9 -0.846120025884E+03 0.70828E-01 -0.42520E-01 3183 0.148E+00 0.868E-01
DAV: 10 -0.846115135089E+03 0.48908E-02 -0.68605E-02 3120 0.578E-01 0.577E-01
DAV: 11 -0.846108965155E+03 0.61699E-02 -0.66717E-03 3138 0.228E-01 0.322E-01
DAV: 12 -0.846103084052E+03 0.58811E-02 -0.76012E-03 3102 0.279E-01 0.126E-01
DAV: 13 -0.846102906762E+03 0.17729E-03 -0.51706E-03 3084 0.241E-01 0.149E-01
DAV: 14 -0.846106081035E+03 -0.31743E-02 -0.34360E-03 3066 0.161E-01 0.103E-01
DAV: 15 -0.846111468637E+03 -0.53876E-02 -0.14884E-03 3156 0.126E-01 0.432E-02
DAV: 16 -0.846113768499E+03 -0.22999E-02 -0.63847E-04 3102 0.600E-02 0.403E-02
DAV: 17 -0.846114633159E+03 -0.86466E-03 -0.13373E-04 3138 0.252E-02 0.258E-02
DAV: 18 -0.846115775438E+03 -0.11423E-02 -0.58028E-05 2814 0.170E-02 0.118E-02
DAV: 19 -0.846116465641E+03 -0.69020E-03 -0.33824E-05 2544 0.185E-02 0.112E-02
DAV: 20 -0.846116591504E+03 -0.12586E-03 -0.28686E-05 2634 0.127E-02 0.797E-03
DAV: 21 -0.846116667796E+03 -0.76291E-04 -0.57573E-06 1959 0.698E-03 0.431E-03
DAV: 22 -0.846116747250E+03 -0.79454E-04 -0.72533E-06 1959 0.821E-03 0.331E-03
DAV: 23 -0.846116757193E+03 -0.99433E-05 -0.42667E-06 2013 0.479E-03
1 F= -.84611676E+03 E0= -.84612064E+03 d E =0.116421E-01