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 0.32770 0.00000 :RKM : MATRIX SIZE 724LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140893 -6.5140893 -6.5140728 -6.5140728 -6.5120074 :EIG00006: -6.5120074 -6.5116781 -6.5116781 -6.5045827 -6.5045827 :EIG00011: -6.5045307 -6.5045307 -5.7619210 -5.7619210 -3.3037046 :EIG00016: -3.3037046 -3.2772291 -3.2772291 -3.2565225 -3.2565225 :EIG00021: -1.5161931 -1.5161931 -1.5103205 -1.5103205 -1.5084703 :EIG00026: -1.5084703 -1.5053978 -1.5053978 -1.5035474 -1.5035474 :EIG00031: -1.5027447 -1.5027447 -1.5017315 -1.5017315 -1.5014081 :EIG00036: -1.5014081 -1.4990726 -1.4990726 -1.4969485 -1.4969485 :EIG00041: -0.2264007 -0.2264007 -0.1344750 -0.1344750 0.2691350 :EIG00046: 0.2691350 0.4145819 0.4145819 0.4832915 0.4832915 :EIG00051: 0.4930562 0.4930562 0.5145141 0.5145141 0.5168830 :EIG00056: 0.5168830 0.5435825 0.5435825 0.7074847 0.7074847 :EIG00061: 0.8419032 0.8419032 0.8883647 0.8883647 0.9555558 :EIG00066: 0.9555558 1.0488075 1.0488075 1.1609542 1.1609542 :EIG00071: 1.2533122 1.2533122 1.3330756 1.3330756 1.4296197 :EIG00076: 1.4296197 1.4745785 1.4745785 1.5449534 1.5449534 :EIG00081: 1.6517606 1.6517606 1.6612355 1.6612355 1.7363309 :EIG00086: 1.7363309 1.7610084 1.7610084 1.8253257 1.8253257 :EIG00091: 1.8780133 1.8780133 1.9099674 1.9099674 1.9490531 :EIG00096: 1.9490531 1.9967352 1.9967352 ******************************************************** :KPT : NUMBER OF K-POINTS: 499