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 0.42015 :RKM : MATRIX SIZE 692LOs: 98 RKM= 8.00 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5142013 -6.5142013 -6.5141961 -6.5141961 -6.5119813 :EIG00006: -6.5119813 -6.5116537 -6.5116537 -6.5045617 -6.5045617 :EIG00011: -6.5044913 -6.5044913 -5.7618563 -5.7618563 -3.3048432 :EIG00016: -3.3048432 -3.2771193 -3.2771193 -3.2564248 -3.2564248 :EIG00021: -1.5114376 -1.5114376 -1.5109138 -1.5109138 -1.5074215 :EIG00026: -1.5074215 -1.5049027 -1.5049027 -1.5041824 -1.5041824 :EIG00031: -1.5018347 -1.5018347 -1.5014998 -1.5014998 -1.4995218 :EIG00036: -1.4995218 -1.4986564 -1.4986564 -1.4966000 -1.4966000 :EIG00041: -0.0953180 -0.0953180 0.0397023 0.0397023 0.2307505 :EIG00046: 0.2307505 0.3631022 0.3631022 0.4022943 0.4022943 :EIG00051: 0.4483628 0.4483628 0.4622697 0.4622697 0.4944247 :EIG00056: 0.4944247 0.5544709 0.5544709 0.6444575 0.6444575 :EIG00061: 0.6634182 0.6634182 0.7559157 0.7559157 0.9022129 :EIG00066: 0.9022129 0.9649781 0.9649781 1.0471785 1.0471785 :EIG00071: 1.1141898 1.1141898 1.1881144 1.1881144 1.4039990 :EIG00076: 1.4039990 1.4728555 1.4728555 1.5915359 1.5915359 :EIG00081: 1.6376716 1.6376716 1.6931943 1.6931943 1.8220490 :EIG00086: 1.8220490 1.8889682 1.8889682 1.9389780 1.9389780 :EIG00091: 1.9840049 1.9840049 ******************************************************** :KPT : NUMBER OF K-POINTS: 499