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= 0.00000 0.50000 0.14537 :RKM : MATRIX SIZE 716LOs: 98 RKM= 7.98 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141278 -6.5141278 -6.5140905 -6.5140905 -6.5119891 :EIG00006: -6.5119891 -6.5116729 -6.5116729 -6.5045715 -6.5045715 :EIG00011: -6.5045238 -6.5045238 -5.7619076 -5.7619076 -3.3039407 :EIG00016: -3.3039407 -3.2772056 -3.2772056 -3.2565017 -3.2565017 :EIG00021: -1.5148717 -1.5148717 -1.5091804 -1.5091804 -1.5085640 :EIG00026: -1.5085640 -1.5056324 -1.5056324 -1.5030738 -1.5030738 :EIG00031: -1.5025517 -1.5025517 -1.5021974 -1.5021974 -1.5017391 :EIG00036: -1.5017391 -1.4990314 -1.4990314 -1.4969853 -1.4969853 :EIG00041: -0.2410898 -0.2410898 -0.0317385 -0.0317385 0.2314839 :EIG00046: 0.2314839 0.3776471 0.3776471 0.4562139 0.4562139 :EIG00051: 0.4827980 0.4827980 0.5127334 0.5127334 0.5311377 :EIG00056: 0.5311377 0.5567782 0.5567782 0.6922510 0.6922510 :EIG00061: 0.7839789 0.7839789 0.8069869 0.8069869 0.8933734 :EIG00066: 0.8933734 1.1287324 1.1287324 1.2208370 1.2208370 :EIG00071: 1.3175645 1.3175645 1.3466941 1.3466941 1.3732955 :EIG00076: 1.3732955 1.5055403 1.5055403 1.5363525 1.5363525 :EIG00081: 1.5761222 1.5761222 1.6483925 1.6483925 1.7077928 :EIG00086: 1.7077928 1.7550212 1.7550212 1.7922469 1.7922469 :EIG00091: 1.8104148 1.8104148 1.9215148 1.9215148 1.9662506 :EIG00096: 1.9662506 ******************************************************** :KPT : NUMBER OF K-POINTS: 499