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= 0.33333 0.18182 0.00000 2301 :RKM : MATRIX SIZE 718LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141000 -6.5140899 -6.5140686 -6.5140546 -6.5119983 :EIG00006: -6.5119830 -6.5116815 -6.5116767 -6.5045886 -6.5045795 :EIG00011: -6.5045445 -6.5044924 -5.7619337 -5.7619310 -3.3037164 :EIG00016: -3.3037109 -3.2772410 -3.2772400 -3.2565348 -3.2565335 :EIG00021: -1.5163240 -1.5161157 -1.5103381 -1.5102025 -1.5087042 :EIG00026: -1.5080473 -1.5055509 -1.5051528 -1.5037917 -1.5034277 :EIG00031: -1.5027135 -1.5021725 -1.5019784 -1.5018566 -1.5012911 :EIG00036: -1.5011640 -1.4993804 -1.4990680 -1.4969761 -1.4965873 :EIG00041: -0.2811510 -0.1916637 -0.1245936 -0.0773733 0.1994011 :EIG00046: 0.2537926 0.3252524 0.4436874 0.4776778 0.4943753 :EIG00051: 0.5016880 0.5058696 0.5059013 0.5147044 0.5217246 :EIG00056: 0.5346859 0.5469283 0.5584769 0.7500190 0.7772152 :EIG00061: 0.7980515 0.8144754 0.9014841 0.9417576 0.9532777 :EIG00066: 0.9972767 1.0115009 1.1052112 1.1454954 1.1518656 :EIG00071: 1.2044661 1.2423305 1.3095985 1.3606896 1.4015667 :EIG00076: 1.4158749 1.4530137 1.4547824 1.5158859 1.5562916 :EIG00081: 1.5717782 1.6074511 1.6515137 1.6834848 1.6998416 :EIG00086: 1.7450447 1.8037544 1.8115065 1.8227038 1.8360041 :EIG00091: 1.8716593 1.8829918 1.9028951 1.9396797 1.9460254 :EIG00096: 1.9764563 1.9942065 ******************************************************** :KPT : NUMBER OF K-POINTS: 115