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= 0.00000 0.00000 0.00000 G :RKM : MATRIX SIZE 709LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141116 -6.5141004 -6.5140592 -6.5140520 -6.5119989 :EIG00006: -6.5119847 -6.5116746 -6.5116743 -6.5045902 -6.5045871 :EIG00011: -6.5045669 -6.5044654 -5.7619238 -5.7619182 -3.3037100 :EIG00016: -3.3037017 -3.2772309 -3.2772247 -3.2565231 -3.2565226 :EIG00021: -1.5164569 -1.5157964 -1.5104459 -1.5101248 -1.5091800 :EIG00026: -1.5076201 -1.5056879 -1.5046736 -1.5034997 -1.5030691 :EIG00031: -1.5029304 -1.5022061 -1.5021278 -1.5020457 -1.5011867 :EIG00036: -1.5010028 -1.4997813 -1.4980321 -1.4979296 -1.4964391 :EIG00041: -0.3236236 -0.1250142 -0.1029732 -0.0696924 0.1683444 :EIG00046: 0.2521059 0.3361092 0.3854133 0.4020691 0.4564010 :EIG00051: 0.4961000 0.4961197 0.5146887 0.5175308 0.5257243 :EIG00056: 0.5427551 0.5560686 0.5596353 0.6971984 0.7501699 :EIG00061: 0.8762706 0.9143175 0.9186639 0.9518176 1.0241606 :EIG00066: 1.0265537 1.0503049 1.1271241 1.1776024 1.2803010 :EIG00071: 1.2805773 1.3211747 1.3342672 1.3384197 1.3794709 :EIG00076: 1.3827393 1.4097332 1.4178749 1.4515789 1.4929748 :EIG00081: 1.5202064 1.5513874 1.5556379 1.5599460 1.5708722 :EIG00086: 1.6079882 1.6109774 1.6343346 1.6933827 1.9412161 :EIG00091: 1.9628103 1.9775366 1.9986664 ******************************************************** :KPT : NUMBER OF K-POINTS: 499