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= 0.20833 0.09091 0.13333 1433 :RKM : MATRIX SIZE 709LOs: 98 RKM= 8.00 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141257 -6.5141200 -6.5140839 -6.5140805 -6.5119884 :EIG00006: -6.5119848 -6.5116750 -6.5116698 -6.5045814 -6.5045776 :EIG00011: -6.5045470 -6.5044748 -5.7619067 -5.7619028 -3.3039009 :EIG00016: -3.3038943 -3.2772131 -3.2772119 -3.2564948 -3.2564939 :EIG00021: -1.5152870 -1.5147738 -1.5095681 -1.5088585 -1.5086349 :EIG00026: -1.5084089 -1.5060701 -1.5052994 -1.5033164 -1.5028608 :EIG00031: -1.5026958 -1.5024686 -1.5023619 -1.5018455 -1.5016988 :EIG00036: -1.5014995 -1.4993821 -1.4987280 -1.4971991 -1.4964713 :EIG00041: -0.2889976 -0.1413530 -0.0903406 -0.0560618 0.2279660 :EIG00046: 0.2529422 0.2894399 0.4256060 0.4598508 0.4762384 :EIG00051: 0.4946341 0.4964191 0.5047073 0.5089125 0.5236977 :EIG00056: 0.5306298 0.5497526 0.5690480 0.6750017 0.7280212 :EIG00061: 0.8051821 0.8328075 0.8369843 0.8596195 0.8962164 :EIG00066: 0.9390177 1.0690829 1.1108047 1.2014566 1.2200630 :EIG00071: 1.2253806 1.2684663 1.2976301 1.3154399 1.3658683 :EIG00076: 1.4021665 1.4312426 1.4989853 1.5008507 1.5319470 :EIG00081: 1.5682878 1.5978082 1.6462728 1.6771430 1.7042967 :EIG00086: 1.7206435 1.7488717 1.7672369 1.8018997 1.8433212 :EIG00091: 1.8495328 1.8664281 1.9355516 1.9567735 1.9629687 :EIG00096: 1.9798110 ******************************************************** :KPT : NUMBER OF K-POINTS: 358