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5.032 5.056 2.65125785e-07 -9.449040117319264e-06 0.0001374231979300581 -0.0008833586655129511 5.056 5.08 1.05293034e-07 -4.379170390682851e-06 7.382137401312559e-05 -0.0005359150358197254 5.08 5.104 3.53055666e-08 -1.761805619949307e-06 3.523549143410533e-05 -0.0002932204179153133 5.104 5.128 9.264395729999999e-09 -5.77186913269912e-07 1.412362134420275e-05 -0.000137223046569943 5.128 5.152 1.65014431e-09 -1.363745132210414e-07 4.243561991166845e-06 -4.893654077019024e-05 5.152 5.176 1.4494896e-10 -1.724588009592152e-08 7.20131055713144e-07 -1.038612161882628e-05 5.176 5.2 2.26558053e-12 -6.268075790224179e-10 -2.76697008423488e-08 8.349083415422945e-06 -0.0004044192174174222 0.005962156469375785 As-As.skf Bernadett Szuecs (szucs@phys.uni-paderborn.de) Oct 2002 Si 34caafa8d8b08ae0899715d0d9859418 $Id: As-As.skf,v 10.0 2008/04/15 23:02:36 case Exp $ $URL: svn+ssh://svn/slako/tags/skful/hyb-0-1/As-As.skf $ Ag Ga e48c73678edd3526ef5da2a377f46262 trunk/skful/hyb Ga As 02e07661a5dad3bd987d063dd667df06 trunk/skful/hyb As H 34cef0976c809e3315404b4dd817eb37 trunk/skful/hyb As S ea923bf9ae1258c2c89bed74cb5437a0 trunk/skful/hyb S As 81b42038071c0ea675aee4b648b4a3b2 trunk/skful/hyb As Si 675ad132a7ccd42e114bfd0c96265cd9 trunk/skful/hyb Si As fd357af2691ad291991b009217d83b72 trunk/skful/hyb twocnt pbe dense 4s 4p 3d 0.50 1.20 2.80 6.0 14.1 33.0 2 2 9.8 4.5 4.5 4.5 atom spline yes Nrlmol B. Szuecs, Z. Hajnal, T. Frauenheim, C. Gonzales, J. Ortega, R. Perez and F. Flores, Appl. Surf. Sci., vol. 212, p. 861, 2003. B. Szuecs, Z. Hajnal, R. Scholz, S. Sanna, and T. Frauenheim, Appl. Surf. Sci., vol. 234, p. 173-177, 2004. S.I. Simdyankin, S.R. Elliott, Z. Hajnal, T. A. Niehaus, and T. Frauenheim, Phys.Rev.B, vol. 69, p. 144202, 2004. The file was produced by Z. Hajnal and I. Chaudhuri