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= 0.00000 0.23536 0.00000 :RKM : MATRIX SIZE 698LOs: 98 RKM= 7.97 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141074 -6.5140886 -6.5140476 -6.5140448 -6.5119868 :EIG00006: -6.5119841 -6.5116790 -6.5116718 -6.5045776 -6.5045732 :EIG00011: -6.5045647 -6.5044724 -5.7619229 -5.7619188 -3.3037070 :EIG00016: -3.3036998 -3.2772284 -3.2772251 -3.2565226 -3.2565190 :EIG00021: -1.5163925 -1.5158492 -1.5102013 -1.5101544 -1.5089265 :EIG00026: -1.5078264 -1.5054328 -1.5046374 -1.5034213 -1.5032475 :EIG00031: -1.5026342 -1.5023085 -1.5019624 -1.5016753 -1.5013523 :EIG00036: -1.5009960 -1.4995235 -1.4983729 -1.4975311 -1.4964388 :EIG00041: -0.3099634 -0.1894664 -0.0632915 -0.0593974 0.1782674 :EIG00046: 0.2657781 0.2921857 0.3844129 0.4365303 0.4939356 :EIG00051: 0.4980367 0.4984034 0.5122463 0.5136792 0.5244323 :EIG00056: 0.5434812 0.5534762 0.5594441 0.7072375 0.7583795 :EIG00061: 0.7696424 0.8762869 0.8888787 0.9080740 1.0407129 :EIG00066: 1.0514979 1.1355964 1.1662132 1.1729726 1.2114236 :EIG00071: 1.2418063 1.3113152 1.3549873 1.3640635 1.3777408 :EIG00076: 1.3941535 1.4235262 1.4930037 1.4991771 1.5041466 :EIG00081: 1.5248481 1.5343421 1.5403170 1.6059806 1.6163510 :EIG00086: 1.6631547 1.6898991 1.6963294 1.6990331 1.8118984 :EIG00091: 1.8260232 1.9018620 1.9151040 1.9563780 1.9669264 ******************************************************** :KPT : NUMBER OF K-POINTS: 499