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= 0.41667 0.00000 0.00000 2761 :RKM : MATRIX SIZE 716LOs: 98 RKM= 7.96 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140974 -6.5140839 -6.5140713 -6.5140637 -6.5119929 :EIG00006: -6.5119916 -6.5116803 -6.5116773 -6.5045901 -6.5045820 :EIG00011: -6.5045312 -6.5044986 -5.7619332 -5.7619316 -3.3037153 :EIG00016: -3.3037135 -3.2772422 -3.2772405 -3.2565343 -3.2565339 :EIG00021: -1.5163018 -1.5161228 -1.5102668 -1.5101750 -1.5085748 :EIG00026: -1.5082048 -1.5055397 -1.5052571 -1.5037675 -1.5036676 :EIG00031: -1.5023859 -1.5021382 -1.5020569 -1.5019976 -1.5012408 :EIG00036: -1.5010990 -1.4993969 -1.4992291 -1.4967462 -1.4966336 :EIG00041: -0.2698990 -0.2213974 -0.0863664 -0.0825283 0.1799415 :EIG00046: 0.1933428 0.3732850 0.4544667 0.4911710 0.4992824 :EIG00051: 0.5023313 0.5042990 0.5045360 0.5087501 0.5255733 :EIG00056: 0.5281318 0.5571806 0.5663389 0.7711638 0.7805106 :EIG00061: 0.8331920 0.8551259 0.8851194 0.9001681 0.9874105 :EIG00066: 1.0044762 1.0051506 1.0606242 1.0703919 1.1302061 :EIG00071: 1.1582065 1.1876112 1.3163078 1.3590137 1.3986669 :EIG00076: 1.4162995 1.4357734 1.4618456 1.5518197 1.5830326 :EIG00081: 1.6004097 1.6161570 1.6870241 1.7064973 1.7221687 :EIG00086: 1.7379477 1.7937835 1.8229074 1.8553979 1.8787138 :EIG00091: 1.9073742 1.9575656 1.9587132 1.9743328 1.9803450 :EIG00096: 1.9891103 ******************************************************** :KPT : NUMBER OF K-POINTS: 115