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= 0.50000 0.50000 0.00000 3566 :RKM : MATRIX SIZE 714LOs: 98 RKM= 7.98 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140852 -6.5140852 -6.5140729 -6.5140729 -6.5120006 :EIG00006: -6.5120006 -6.5116652 -6.5116652 -6.5045638 -6.5045638 :EIG00011: -6.5045310 -6.5045310 -5.7619269 -5.7619269 -3.3037052 :EIG00016: -3.3037052 -3.2772415 -3.2772415 -3.2565213 -3.2565213 :EIG00021: -1.5161249 -1.5161249 -1.5103797 -1.5103797 -1.5084186 :EIG00026: -1.5084186 -1.5052909 -1.5052909 -1.5031154 -1.5031154 :EIG00031: -1.5030183 -1.5030183 -1.5015448 -1.5015448 -1.5015216 :EIG00036: -1.5015216 -1.4988932 -1.4988932 -1.4969475 -1.4969475 :EIG00041: -0.2129594 -0.2129594 -0.1565706 -0.1565706 0.3191955 :EIG00046: 0.3191955 0.3910097 0.3910097 0.4675036 0.4675036 :EIG00051: 0.4914348 0.4914348 0.5163033 0.5163033 0.5244589 :EIG00056: 0.5244589 0.5374884 0.5374884 0.6844270 0.6844270 :EIG00061: 0.8301446 0.8301446 0.9091854 0.9091854 0.9289668 :EIG00066: 0.9289668 1.1014091 1.1014091 1.1587691 1.1587691 :EIG00071: 1.2316471 1.2316471 1.3227693 1.3227693 1.4803434 :EIG00076: 1.4803434 1.5114405 1.5114405 1.6071941 1.6071941 :EIG00081: 1.6334651 1.6334651 1.6523532 1.6523532 1.6719931 :EIG00086: 1.6719931 1.7237335 1.7237335 1.7443703 1.7443703 :EIG00091: 1.8598302 1.8598302 1.9117305 1.9117305 1.9744832 :EIG00096: 1.9744832 1.9821056 1.9821056 ******************************************************** :KPT : NUMBER OF K-POINTS: 23