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= 0.12500 0.45455 0.35556 1075 :RKM : MATRIX SIZE 705LOs: 98 RKM= 8.00 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141986 -6.5141968 -6.5141793 -6.5141758 -6.5119922 :EIG00006: -6.5119898 -6.5116629 -6.5116613 -6.5045642 -6.5045590 :EIG00011: -6.5045072 -6.5045037 -5.7618608 -5.7618604 -3.3046783 :EIG00016: -3.3046774 -3.2771400 -3.2771398 -3.2564288 -3.2564282 :EIG00021: -1.5116071 -1.5115009 -1.5110768 -1.5109680 -1.5073207 :EIG00026: -1.5072277 -1.5045542 -1.5044974 -1.5040279 -1.5039257 :EIG00031: -1.5028258 -1.5028042 -1.5019439 -1.5018012 -1.5002540 :EIG00036: -1.5002166 -1.4988086 -1.4986571 -1.4968064 -1.4966813 :EIG00041: -0.1421412 -0.1239561 0.0227655 0.0277684 0.2635820 :EIG00046: 0.2733818 0.3396587 0.3489001 0.4171149 0.4196708 :EIG00051: 0.4511159 0.4559775 0.4724257 0.4780681 0.4928501 :EIG00056: 0.4973358 0.5507004 0.5597801 0.6476151 0.6489422 :EIG00061: 0.6720750 0.6766740 0.7843236 0.7995695 0.8527596 :EIG00066: 0.8688312 0.9811483 1.0063426 1.0581592 1.0708309 :EIG00071: 1.1226442 1.1577553 1.2445658 1.2464685 1.3397787 :EIG00076: 1.3720074 1.4978171 1.5024158 1.5751064 1.5987395 :EIG00081: 1.6021258 1.6636063 1.6922270 1.7316606 1.8020731 :EIG00086: 1.8332118 1.8518532 1.8676083 1.9064504 1.9236000 :EIG00091: 1.9443344 1.9752574 1.9869528 ******************************************************** :KPT : NUMBER OF K-POINTS: 358