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 0.10135 0.50000 :RKM : MATRIX SIZE 716LOs: 98 RKM= 8.00 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5142282 -6.5142282 -6.5142278 -6.5142278 -6.5119931 :EIG00006: -6.5119931 -6.5116678 -6.5116678 -6.5045453 -6.5045453 :EIG00011: -6.5045229 -6.5045229 -5.7618524 -5.7618524 -3.3049216 :EIG00016: -3.3049216 -3.2771138 -3.2771138 -3.2564199 -3.2564199 :EIG00021: -1.5120788 -1.5120788 -1.5103723 -1.5103723 -1.5079556 :EIG00026: -1.5079556 -1.5048884 -1.5048884 -1.5046753 -1.5046753 :EIG00031: -1.5022261 -1.5022261 -1.5010821 -1.5010821 -1.4995076 :EIG00036: -1.4995076 -1.4985889 -1.4985889 -1.4967115 -1.4967115 :EIG00041: -0.0822666 -0.0822666 0.0606546 0.0606546 0.2426921 :EIG00046: 0.2426921 0.3178126 0.3178126 0.4104916 0.4104916 :EIG00051: 0.4430478 0.4430478 0.4521605 0.4521605 0.4864180 :EIG00056: 0.4864180 0.5370837 0.5370837 0.6530738 0.6530738 :EIG00061: 0.7085689 0.7085689 0.7431792 0.7431792 0.7938129 :EIG00066: 0.7938129 0.9026198 0.9026198 1.1370585 1.1370585 :EIG00071: 1.2606534 1.2606534 1.3298385 1.3298385 1.3672973 :EIG00076: 1.3672973 1.4229662 1.4229662 1.5370210 1.5370210 :EIG00081: 1.6006653 1.6006653 1.6315563 1.6315563 1.6809482 :EIG00086: 1.6809482 1.6932088 1.6932088 1.8167729 1.8167729 :EIG00091: 1.8698749 1.8698749 ******************************************************** :KPT : NUMBER OF K-POINTS: 499