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 0.27273 0.00000 3451 :RKM : MATRIX SIZE 724LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140884 -6.5140884 -6.5140722 -6.5140722 -6.5120012 :EIG00006: -6.5120012 -6.5116795 -6.5116795 -6.5045851 -6.5045851 :EIG00011: -6.5045244 -6.5045244 -5.7619271 -5.7619271 -3.3037067 :EIG00016: -3.3037067 -3.2772442 -3.2772442 -3.2565238 -3.2565238 :EIG00021: -1.5161987 -1.5161987 -1.5102938 -1.5102938 -1.5084751 :EIG00026: -1.5084751 -1.5054385 -1.5054385 -1.5035801 -1.5035801 :EIG00031: -1.5026336 -1.5026336 -1.5018103 -1.5018103 -1.5013733 :EIG00036: -1.5013733 -1.4991119 -1.4991119 -1.4968895 -1.4968895 :EIG00041: -0.2322612 -0.2322612 -0.1228204 -0.1228204 0.2469754 :EIG00046: 0.2469754 0.4192257 0.4192257 0.4923899 0.4923899 :EIG00051: 0.4941964 0.4941964 0.5132679 0.5132679 0.5146348 :EIG00056: 0.5146348 0.5465231 0.5465231 0.7223099 0.7223099 :EIG00061: 0.8498974 0.8498974 0.8814921 0.8814921 0.9661396 :EIG00066: 0.9661396 1.0265154 1.0265154 1.1609448 1.1609448 :EIG00071: 1.2462226 1.2462226 1.3265784 1.3265784 1.4401741 :EIG00076: 1.4401741 1.4564670 1.4564670 1.5209829 1.5209829 :EIG00081: 1.6529668 1.6529668 1.6627042 1.6627042 1.7657798 :EIG00086: 1.7657798 1.7840656 1.7840656 1.8537314 1.8537314 :EIG00091: 1.8918448 1.8918448 1.9074490 1.9074490 1.9437503 :EIG00096: 1.9437503 1.9825121 1.9825121 ******************************************************** :KPT : NUMBER OF K-POINTS: 115