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= 0.41667 0.22727 0.00000 2876 :RKM : MATRIX SIZE 717LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140951 -6.5140759 -6.5140744 -6.5140592 -6.5119988 :EIG00006: -6.5119947 -6.5116801 -6.5116756 -6.5045869 -6.5045803 :EIG00011: -6.5045337 -6.5045076 -5.7619277 -5.7619264 -3.3037068 :EIG00016: -3.3037043 -3.2772443 -3.2772428 -3.2565246 -3.2565230 :EIG00021: -1.5162267 -1.5161266 -1.5103004 -1.5101662 -1.5085534 :EIG00026: -1.5082660 -1.5054393 -1.5052678 -1.5037261 -1.5034883 :EIG00031: -1.5026456 -1.5023478 -1.5018532 -1.5018157 -1.5013406 :EIG00036: -1.5012718 -1.4992466 -1.4990921 -1.4969574 -1.4967308 :EIG00041: -0.2582942 -0.2131714 -0.1265384 -0.0971587 0.2158390 :EIG00046: 0.2488195 0.3769131 0.4459423 0.4903695 0.4940803 :EIG00051: 0.4973992 0.4997806 0.5098206 0.5117806 0.5139965 :EIG00056: 0.5258329 0.5440853 0.5532718 0.7298930 0.7513218 :EIG00061: 0.8301350 0.8461294 0.8812881 0.9101632 0.9572550 :EIG00066: 0.9796809 0.9919805 1.0625205 1.1531288 1.1664019 :EIG00071: 1.2204791 1.2370585 1.3167885 1.3356889 1.4191414 :EIG00076: 1.4324634 1.4546257 1.4866031 1.5172577 1.5216065 :EIG00081: 1.6087369 1.6162224 1.6749219 1.7045685 1.7319895 :EIG00086: 1.7748773 1.8051330 1.8176843 1.8401151 1.8546472 :EIG00091: 1.8819953 1.8898254 1.9039930 1.9136544 1.9376564 :EIG00096: 1.9398301 1.9970259 ******************************************************** :KPT : NUMBER OF K-POINTS: 115