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 0.22727 0.00000 1496 :RKM : MATRIX SIZE 710LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141067 -6.5140867 -6.5140539 -6.5140495 -6.5119980 :EIG00006: -6.5119830 -6.5116755 -6.5116667 -6.5045817 -6.5045770 :EIG00011: -6.5045555 -6.5044797 -5.7619288 -5.7619253 -3.3037087 :EIG00016: -3.3037023 -3.2772427 -3.2772412 -3.2565242 -3.2565211 :EIG00021: -1.5163612 -1.5158838 -1.5103054 -1.5101176 -1.5088261 :EIG00026: -1.5080047 -1.5055338 -1.5049086 -1.5036659 -1.5031339 :EIG00031: -1.5028939 -1.5021435 -1.5019149 -1.5017690 -1.5013377 :EIG00036: -1.5011239 -1.4993771 -1.4988287 -1.4972523 -1.4965593 :EIG00041: -0.2974279 -0.1819419 -0.1138588 -0.0624565 0.2143091 :EIG00046: 0.2446785 0.3220501 0.3894353 0.4574157 0.4942930 :EIG00051: 0.5023049 0.5037006 0.5052068 0.5163335 0.5271822 :EIG00056: 0.5370126 0.5494632 0.5590295 0.7461644 0.7644671 :EIG00061: 0.7891080 0.7969082 0.9129754 0.9231890 0.9972535 :EIG00066: 1.0304131 1.0631090 1.1349144 1.1632984 1.1687561 :EIG00071: 1.2249662 1.2897603 1.3348964 1.3818258 1.4104209 :EIG00076: 1.4137488 1.4308136 1.4568936 1.4954418 1.5430081 :EIG00081: 1.5487781 1.5632901 1.6171438 1.6380274 1.6588945 :EIG00086: 1.6855171 1.7041710 1.7590131 1.7800409 1.8363641 :EIG00091: 1.8379985 1.8700057 1.8987928 1.8993426 1.9618855 :EIG00096: 1.9930601 ******************************************************** :KPT : NUMBER OF K-POINTS: 115