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= 0.50000 0.50000 0.19053 :RKM : MATRIX SIZE 710LOs: 98 RKM= 7.98 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141255 -6.5141255 -6.5141154 -6.5141154 -6.5119976 :EIG00006: -6.5119976 -6.5116670 -6.5116670 -6.5045482 -6.5045482 :EIG00011: -6.5045363 -6.5045363 -5.7618991 -5.7618991 -3.3040894 :EIG00016: -3.3040894 -3.2771924 -3.2771924 -3.2564881 -3.2564881 :EIG00021: -1.5140341 -1.5140341 -1.5093750 -1.5093750 -1.5075400 :EIG00026: -1.5075400 -1.5060929 -1.5060929 -1.5030999 -1.5030999 :EIG00031: -1.5025318 -1.5025318 -1.5023330 -1.5023330 -1.5019152 :EIG00036: -1.5019152 -1.4987516 -1.4987516 -1.4969113 -1.4969113 :EIG00041: -0.1788746 -0.1788746 -0.1178271 -0.1178271 0.3454259 :EIG00046: 0.3454259 0.3775122 0.3775122 0.4712757 0.4712757 :EIG00051: 0.4788217 0.4788217 0.5116759 0.5116759 0.5155253 :EIG00056: 0.5155253 0.5533673 0.5533673 0.6848229 0.6848229 :EIG00061: 0.7272273 0.7272273 0.7375087 0.7375087 0.8491369 :EIG00066: 0.8491369 1.1033825 1.1033825 1.2438970 1.2438970 :EIG00071: 1.2744162 1.2744162 1.2805203 1.2805203 1.3916200 :EIG00076: 1.3916200 1.4701513 1.4701513 1.5151504 1.5151504 :EIG00081: 1.5875484 1.5875484 1.6074767 1.6074767 1.7052102 :EIG00086: 1.7052102 1.8359241 1.8359241 1.8860501 1.8860501 :EIG00091: 1.9645659 1.9645659 1.9837181 1.9837181 ******************************************************** :KPT : NUMBER OF K-POINTS: 499