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 0.00000 0.27478 :RKM : MATRIX SIZE 707LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141821 -6.5141641 -6.5141478 -6.5141338 -6.5119867 :EIG00006: -6.5119828 -6.5116684 -6.5116676 -6.5045573 -6.5045539 :EIG00011: -6.5045476 -6.5044815 -5.7618832 -5.7618796 -3.3044078 :EIG00016: -3.3044022 -3.2771647 -3.2771591 -3.2564619 -3.2564616 :EIG00021: -1.5127285 -1.5126259 -1.5107079 -1.5097169 -1.5072030 :EIG00026: -1.5063372 -1.5050977 -1.5048939 -1.5036942 -1.5036440 :EIG00031: -1.5030162 -1.5027994 -1.5026901 -1.5019920 -1.5014525 :EIG00036: -1.5011927 -1.4992246 -1.4981390 -1.4972174 -1.4962627 :EIG00041: -0.2433552 -0.0643039 -0.0345250 -0.0067424 0.2532509 :EIG00046: 0.3046518 0.3456711 0.3599336 0.3982958 0.4422166 :EIG00051: 0.4540090 0.4823989 0.4908668 0.4972323 0.5045372 :EIG00056: 0.5075004 0.5191809 0.5520821 0.6350306 0.6788875 :EIG00061: 0.7028384 0.7041121 0.7112800 0.8762977 0.9016621 :EIG00066: 0.9457237 0.9470666 1.0930960 1.1102728 1.1251029 :EIG00071: 1.1943437 1.2181296 1.2842348 1.3796687 1.4373266 :EIG00076: 1.4513597 1.4622300 1.5005918 1.5081304 1.5421497 :EIG00081: 1.5631218 1.5671073 1.6313329 1.6693348 1.6915533 :EIG00086: 1.7422878 1.7918609 1.8230044 1.8410106 1.8474610 :EIG00091: 1.8749577 1.8776153 1.9857191 1.9891422 1.9926425 ******************************************************** :KPT : NUMBER OF K-POINTS: 499