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 0.31818 0.00000 2646 :RKM : MATRIX SIZE 718LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140948 -6.5140807 -6.5140669 -6.5140578 -6.5120041 :EIG00006: -6.5119984 -6.5116788 -6.5116680 -6.5045821 -6.5045735 :EIG00011: -6.5045418 -6.5045111 -5.7619329 -5.7619317 -3.3037143 :EIG00016: -3.3037119 -3.2772416 -3.2772405 -3.2565345 -3.2565322 :EIG00021: -1.5162169 -1.5160785 -1.5103309 -1.5102040 -1.5086014 :EIG00026: -1.5082919 -1.5054619 -1.5051940 -1.5036342 -1.5033021 :EIG00031: -1.5029000 -1.5024707 -1.5017394 -1.5016832 -1.5014040 :EIG00036: -1.5013223 -1.4991625 -1.4989896 -1.4970762 -1.4967901 :EIG00041: -0.2568809 -0.2018317 -0.1454992 -0.1041400 0.2409990 :EIG00046: 0.2933014 0.3578069 0.4385164 0.4754881 0.4780157 :EIG00051: 0.4924831 0.4959651 0.5115057 0.5158865 0.5160006 :EIG00056: 0.5299254 0.5369833 0.5514065 0.7134285 0.7260552 :EIG00061: 0.8261127 0.8451173 0.8765668 0.9252590 0.9382639 :EIG00066: 0.9897197 0.9902396 1.1067471 1.1524652 1.1705497 :EIG00071: 1.2382023 1.2797331 1.3172172 1.3407586 1.4286381 :EIG00076: 1.4553271 1.4836777 1.4903771 1.5163154 1.5630534 :EIG00081: 1.5966046 1.6013266 1.6581803 1.6893070 1.6938543 :EIG00086: 1.7357618 1.7684768 1.7847905 1.7991814 1.8210072 :EIG00091: 1.8345537 1.8638024 1.8807047 1.9172745 1.9282261 :EIG00096: 1.9363747 ******************************************************** :KPT : NUMBER OF K-POINTS: 115