LDA+U potential added for atom type 1 L= 2 spin up ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe :e__0001: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3310 APW+lo :E0_0001: E( 0)= -5.7640 E(BOTTOM)= -5.772 E(TOP)= -5.756 LOCAL ORBITAL :E1_0001: E( 1)= 0.4390 APW+lo :E1_0001: E( 1)= -3.2850 E(BOTTOM)= -3.309 E(TOP)= -3.261 LOCAL ORBITAL :E2_0001: E( 2)= 0.5080 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Sb :e__0002: OVERALL ENERGY PARAMETER IS 0.4029 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= 0.3790 APW+lo :E0_0002: E( 0)= -0.0850 LOCAL ORBITAL :E1_0002: E( 1)= 0.4130 APW+lo :E1_0002: E( 1)= -6.5150 E(BOTTOM)= -6.537 E(TOP)= -6.493 LOCAL ORBITAL :E2_0002: E( 2)= 0.4760 APW+lo :E2_0002: E( 2)= -1.5040 LOCAL ORBITAL K= 0.29167 0.40909 0.20000 2149 :RKM : MATRIX SIZE 708LOs: 98 RKM= 7.99 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141396 -6.5141362 -6.5141127 -6.5141124 -6.5119895 :EIG00006: -6.5119861 -6.5116698 -6.5116655 -6.5045677 -6.5045541 :EIG00011: -6.5045339 -6.5045132 -5.7618927 -5.7618919 -3.3041156 :EIG00016: -3.3041147 -3.2771926 -3.2771923 -3.2564754 -3.2564748 :EIG00021: -1.5139225 -1.5138333 -1.5096255 -1.5094051 -1.5072936 :EIG00026: -1.5072310 -1.5061639 -1.5059505 -1.5032729 -1.5030897 :EIG00031: -1.5027217 -1.5025524 -1.5023610 -1.5021273 -1.5018700 :EIG00036: -1.5017216 -1.4989470 -1.4987171 -1.4970027 -1.4967533 :EIG00041: -0.2169194 -0.1803359 -0.0855879 -0.0605528 0.2870894 :EIG00046: 0.3173120 0.3824596 0.4147198 0.4261303 0.4502576 :EIG00051: 0.4817531 0.4906824 0.4987204 0.5139832 0.5195555 :EIG00056: 0.5256246 0.5406068 0.5446176 0.6736787 0.6905311 :EIG00061: 0.7116339 0.7247348 0.7612434 0.7836027 0.8791695 :EIG00066: 0.9109747 1.0289216 1.0898429 1.1519805 1.1863549 :EIG00071: 1.2395408 1.2763513 1.3177229 1.3518968 1.3831498 :EIG00076: 1.4328282 1.5053631 1.5172033 1.5344108 1.5604775 :EIG00081: 1.6051223 1.6099368 1.6282894 1.6468004 1.6916799 :EIG00086: 1.7071553 1.7401043 1.7436775 1.7801159 1.8232619 :EIG00091: 1.9358046 1.9556192 1.9980205 ******************************************************** :KPT : NUMBER OF K-POINTS: 358