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= 0.29167 0.27273 0.00000 2071 :RKM : MATRIX SIZE 712LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141009 -6.5140840 -6.5140610 -6.5140530 -6.5120007 :EIG00006: -6.5119843 -6.5116761 -6.5116685 -6.5045802 -6.5045743 :EIG00011: -6.5045470 -6.5044942 -5.7619335 -5.7619311 -3.3037154 :EIG00016: -3.3037109 -3.2772406 -3.2772386 -3.2565344 -3.2565315 :EIG00021: -1.5162794 -1.5159919 -1.5103100 -1.5101313 -1.5087079 :EIG00026: -1.5081363 -1.5055191 -1.5050487 -1.5036814 -1.5031552 :EIG00031: -1.5029133 -1.5022439 -1.5018045 -1.5017430 -1.5013490 :EIG00036: -1.5012220 -1.4992937 -1.4989096 -1.4971086 -1.4966207 :EIG00041: -0.2793292 -0.1914485 -0.1333158 -0.0782723 0.2192702 :EIG00046: 0.2820143 0.3261544 0.4161894 0.4657122 0.4932659 :EIG00051: 0.4994844 0.5002121 0.5077101 0.5162228 0.5210993 :EIG00056: 0.5351324 0.5416506 0.5553274 0.7385420 0.7541452 :EIG00061: 0.7963055 0.8146486 0.8965557 0.9229210 0.9663795 :EIG00066: 1.0074617 1.0142024 1.1218996 1.1490784 1.1792396 :EIG00071: 1.2358617 1.2754365 1.3171694 1.3547723 1.4221810 :EIG00076: 1.4355179 1.4679941 1.4745843 1.5459568 1.5613213 :EIG00081: 1.5627628 1.5837034 1.6330637 1.6483204 1.6613643 :EIG00086: 1.7432973 1.7516096 1.7688471 1.7711054 1.8416687 :EIG00091: 1.8430353 1.8626181 1.8847758 1.9165404 1.9462565 :EIG00096: 1.9464357 ******************************************************** :KPT : NUMBER OF K-POINTS: 115