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 1 :RKM : MATRIX SIZE 709LOs: 98 RKM= 7.99 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141117 -6.5141005 -6.5140592 -6.5140521 -6.5119989 :EIG00006: -6.5119848 -6.5116747 -6.5116743 -6.5045904 -6.5045872 :EIG00011: -6.5045670 -6.5044656 -5.7619190 -5.7619134 -3.3037025 :EIG00016: -3.3036942 -3.2772349 -3.2772287 -3.2565126 -3.2565121 :EIG00021: -1.5164571 -1.5157966 -1.5104460 -1.5101249 -1.5091802 :EIG00026: -1.5076203 -1.5056881 -1.5046738 -1.5035000 -1.5030693 :EIG00031: -1.5029307 -1.5022063 -1.5021280 -1.5020459 -1.5011869 :EIG00036: -1.5010030 -1.4997815 -1.4980323 -1.4979299 -1.4964393 :EIG00041: -0.3236245 -0.1250144 -0.1029743 -0.0696936 0.1683419 :EIG00046: 0.2521044 0.3361080 0.3854124 0.4020661 0.4564270 :EIG00051: 0.4961111 0.4961180 0.5147009 0.5175294 0.5257327 :EIG00056: 0.5428113 0.5560263 0.5596050 0.6972001 0.7501688 :EIG00061: 0.8762700 0.9143371 0.9186630 0.9518167 1.0241595 :EIG00066: 1.0265526 1.0503058 1.1271232 1.1776012 1.2802999 :EIG00071: 1.2805752 1.3211735 1.3342668 1.3384196 1.3794704 :EIG00076: 1.3827486 1.4097333 1.4178740 1.4515692 1.4929737 :EIG00081: 1.5202048 1.5513828 1.5556380 1.5599458 1.5708751 :EIG00086: 1.6079890 1.6109791 1.6343329 1.6933823 1.9412115 :EIG00091: 1.9628100 1.9775359 1.9986649 ******************************************************** :KPT : NUMBER OF K-POINTS: 3588