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= 0.37500 0.09091 0.00000 2531 :RKM : MATRIX SIZE 717LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141009 -6.5140846 -6.5140699 -6.5140610 -6.5119946 :EIG00006: -6.5119872 -6.5116812 -6.5116759 -6.5045903 -6.5045817 :EIG00011: -6.5045381 -6.5044932 -5.7619335 -5.7619312 -3.3037162 :EIG00016: -3.3037118 -3.2772421 -3.2772392 -3.2565345 -3.2565336 :EIG00021: -1.5163281 -1.5160643 -1.5102755 -1.5101286 -1.5086471 :EIG00026: -1.5081255 -1.5055989 -1.5051947 -1.5037841 -1.5035620 :EIG00031: -1.5025205 -1.5020646 -1.5020473 -1.5020060 -1.5012605 :EIG00036: -1.5011367 -1.4994067 -1.4991972 -1.4968072 -1.4966273 :EIG00041: -0.2779806 -0.2064607 -0.1014318 -0.0788535 0.1854698 :EIG00046: 0.2149475 0.3470007 0.4576878 0.4846011 0.4968635 :EIG00051: 0.5027138 0.5044964 0.5052847 0.5116280 0.5251731 :EIG00056: 0.5314515 0.5543211 0.5647274 0.7534627 0.7811800 :EIG00061: 0.8208407 0.8356099 0.9048868 0.9197618 0.9760424 :EIG00066: 0.9928251 1.0084788 1.0750506 1.0982815 1.1486413 :EIG00071: 1.1807009 1.1993670 1.3077754 1.3648089 1.4024791 :EIG00076: 1.4314053 1.4364400 1.4706666 1.4801738 1.5730548 :EIG00081: 1.5853653 1.6133122 1.6667948 1.7128745 1.7329478 :EIG00086: 1.7545962 1.7998916 1.8186963 1.8314220 1.8761736 :EIG00091: 1.8814179 1.9066331 1.9413450 1.9593680 1.9595598 :EIG00096: 1.9782481 ******************************************************** :KPT : NUMBER OF K-POINTS: 115