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 0.00000 0.48889 2507 :RKM : MATRIX SIZE 692LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5142332 -6.5142332 -6.5142015 -6.5142012 -6.5119743 :EIG00006: -6.5119741 -6.5116678 -6.5116677 -6.5045793 -6.5045790 :EIG00011: -6.5044779 -6.5044771 -5.7618475 -5.7618475 -3.3049114 :EIG00016: -3.3049113 -3.2771187 -3.2771187 -3.2564091 -3.2564090 :EIG00021: -1.5116368 -1.5116190 -1.5105783 -1.5105732 -1.5078337 :EIG00026: -1.5078184 -1.5046625 -1.5046381 -1.5043839 -1.5043617 :EIG00031: -1.5021605 -1.5021544 -1.5011214 -1.5011166 -1.4991792 :EIG00036: -1.4991725 -1.4986327 -1.4986167 -1.4968111 -1.4967958 :EIG00041: -0.0736494 -0.0663866 0.0448545 0.0460689 0.2642119 :EIG00046: 0.2644318 0.2753386 0.2812320 0.3902341 0.3972106 :EIG00051: 0.4145240 0.4163538 0.4636477 0.4677929 0.4958419 :EIG00056: 0.4967002 0.5424056 0.5452146 0.6605862 0.6610395 :EIG00061: 0.6909235 0.6936625 0.7774769 0.7900285 0.8986090 :EIG00066: 0.9013972 1.0189092 1.0324704 1.0651713 1.0721702 :EIG00071: 1.1991211 1.2148775 1.2440784 1.2472620 1.2915943 :EIG00076: 1.3024565 1.3257021 1.3276652 1.3774304 1.3888321 :EIG00081: 1.4352419 1.4462001 1.7096213 1.7205503 1.7456491 :EIG00086: 1.7589441 1.9306558 1.9449166 1.9935534 ******************************************************** :KPT : NUMBER OF K-POINTS: 358