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= 0.04167 0.13636 0.28889 359 :RKM : MATRIX SIZE 709LOs: 98 RKM= 8.00 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141904 -6.5141689 -6.5141578 -6.5141533 -6.5119913 :EIG00006: -6.5119859 -6.5116698 -6.5116640 -6.5045643 -6.5045534 :EIG00011: -6.5045379 -6.5044879 -5.7618751 -5.7618720 -3.3044539 :EIG00016: -3.3044484 -3.2771619 -3.2771590 -3.2564472 -3.2564469 :EIG00021: -1.5124891 -1.5123651 -1.5108527 -1.5100133 -1.5072452 :EIG00026: -1.5065146 -1.5047131 -1.5045907 -1.5039569 -1.5037538 :EIG00031: -1.5033836 -1.5029326 -1.5025144 -1.5019499 -1.5012584 :EIG00036: -1.5009752 -1.4992131 -1.4983058 -1.4971553 -1.4963910 :EIG00041: -0.2301639 -0.0835447 -0.0129928 0.0015869 0.2644041 :EIG00046: 0.3112081 0.3332935 0.3707986 0.3890738 0.4058612 :EIG00051: 0.4565947 0.4827740 0.4891982 0.4969510 0.5044773 :EIG00056: 0.5134324 0.5343730 0.5509104 0.6367927 0.6615886 :EIG00061: 0.6997235 0.7111807 0.7191432 0.8248398 0.8894544 :EIG00066: 0.9278149 0.9648636 1.0450210 1.1105633 1.1734013 :EIG00071: 1.1869349 1.2103828 1.2888530 1.3286253 1.3945492 :EIG00076: 1.4334336 1.4788350 1.5018680 1.5489972 1.5512475 :EIG00081: 1.5885537 1.6209723 1.6395420 1.6428176 1.6819358 :EIG00086: 1.7405292 1.7954580 1.8141275 1.8431037 1.8752409 :EIG00091: 1.9126849 1.9297514 1.9428536 1.9772231 1.9897678 ******************************************************** :KPT : NUMBER OF K-POINTS: 358