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= 0.16667 0.31818 0.00000 1266 :RKM : MATRIX SIZE 707LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141036 -6.5140898 -6.5140515 -6.5140455 -6.5119900 :EIG00006: -6.5119843 -6.5116738 -6.5116710 -6.5045772 -6.5045682 :EIG00011: -6.5045501 -6.5044894 -5.7619284 -5.7619257 -3.3037079 :EIG00016: -3.3037025 -3.2772419 -3.2772412 -3.2565238 -3.2565204 :EIG00021: -1.5162869 -1.5159783 -1.5102313 -1.5101371 -1.5087031 :EIG00026: -1.5080967 -1.5054349 -1.5048972 -1.5035661 -1.5032194 :EIG00031: -1.5027204 -1.5022721 -1.5018092 -1.5016076 -1.5014439 :EIG00036: -1.5011920 -1.4992616 -1.4987733 -1.4972811 -1.4965452 :EIG00041: -0.2902796 -0.2085479 -0.0948483 -0.0588499 0.2166201 :EIG00046: 0.2466496 0.3405235 0.3839658 0.4405692 0.4952637 :EIG00051: 0.4979356 0.5035727 0.5056161 0.5151830 0.5292829 :EIG00056: 0.5381494 0.5485412 0.5561870 0.7255593 0.7620752 :EIG00061: 0.7872309 0.7973778 0.8925593 0.9017702 1.0166126 :EIG00066: 1.0367025 1.0756665 1.1274459 1.1515929 1.1865121 :EIG00071: 1.2763047 1.3006971 1.3676113 1.3959647 1.4173023 :EIG00076: 1.4309624 1.4562829 1.4675443 1.4966723 1.5487683 :EIG00081: 1.5505574 1.5576048 1.6078728 1.6280171 1.6432600 :EIG00086: 1.6737233 1.7036157 1.7334063 1.7353628 1.7998940 :EIG00091: 1.8502358 1.8566673 1.8629139 1.8708246 1.9449859 ******************************************************** :KPT : NUMBER OF K-POINTS: 115