DF Pseudopotential fit - CRYSTAL98 format ====================================== Element : Fe When : 13 Oct 04 INPUT 8.000 8 8 8 0 0 0 2.32750861 8.00000000 -1 0.51295951 -0.24975566 0 12.66245546 -65.49153150 0 2.21666603 -1270.74645475 1 2.22863732 1289.36652361 1 21.60480668 1426.28919777 2 4.43179742 -154.29298736 2 18.57097907 -2101.40792547 2 1.20527178 -5.94672098 0 12.31834233 65.58327433 0 2.36540789 401.05559826 1 1.65453021 43.45230217 1 2.39078284 -444.50790043 1 24.75395516 -605.93800069 2 4.93834741 168.37677911 2 18.21940208 1238.27103106 2 0.97728936 -17.08736535 0 9.09827470 75.61239017 0 2.39614107 582.25123375 1 1.32094249 50.25202951 1 2.35158631 -632.50326326 1 25.75093951 -793.73924897 2 3.79316973 179.32354570 2 19.83252710 1285.65869960 2