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= 0.45833 0.36364 0.00000 3221 :RKM : MATRIX SIZE 714LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140855 -6.5140826 -6.5140707 -6.5140664 -6.5120027 :EIG00006: -6.5120018 -6.5116691 -6.5116637 -6.5045750 -6.5045676 :EIG00011: -6.5045305 -6.5045190 -5.7619324 -5.7619320 -3.3037132 :EIG00016: -3.3037117 -3.2772400 -3.2772385 -3.2565315 -3.2565308 :EIG00021: -1.5161810 -1.5161245 -1.5103798 -1.5103137 -1.5085008 :EIG00026: -1.5083820 -1.5053192 -1.5052782 -1.5034489 -1.5033018 :EIG00031: -1.5028393 -1.5027205 -1.5016330 -1.5015906 -1.5013974 :EIG00036: -1.5013638 -1.4989811 -1.4989163 -1.4969747 -1.4968838 :EIG00041: -0.2318044 -0.2139504 -0.1478013 -0.1330512 0.2741826 :EIG00046: 0.2929977 0.3931508 0.4252673 0.4712294 0.4792920 :EIG00051: 0.4921289 0.4930212 0.5145023 0.5157053 0.5170972 :EIG00056: 0.5220313 0.5388689 0.5450241 0.6981201 0.7029512 :EIG00061: 0.8323545 0.8462997 0.8791062 0.9077783 0.9381963 :EIG00066: 0.9597853 1.0403576 1.0861552 1.1580981 1.1631011 :EIG00071: 1.2401205 1.2634900 1.3260645 1.3405295 1.4363273 :EIG00076: 1.4416886 1.4803987 1.4909982 1.5536965 1.5681408 :EIG00081: 1.6362334 1.6397594 1.6606018 1.6785431 1.6995466 :EIG00086: 1.7298861 1.7306595 1.7619703 1.7993094 1.8060223 :EIG00091: 1.8644924 1.8759810 1.8866206 1.9106522 1.9386330 :EIG00096: 1.9650295 1.9998392 ******************************************************** :KPT : NUMBER OF K-POINTS: 115