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 0.50000 0.00000 2186 :RKM : MATRIX SIZE 722LOs: 98 RKM= 7.97 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140948 -6.5140948 -6.5140620 -6.5140620 -6.5119982 :EIG00006: -6.5119982 -6.5116747 -6.5116747 -6.5045713 -6.5045713 :EIG00011: -6.5045266 -6.5045266 -5.7619324 -5.7619324 -3.3037137 :EIG00016: -3.3037137 -3.2772408 -3.2772408 -3.2565327 -3.2565327 :EIG00021: -1.5161820 -1.5161820 -1.5102702 -1.5102702 -1.5085077 :EIG00026: -1.5085077 -1.5052992 -1.5052992 -1.5034160 -1.5034160 :EIG00031: -1.5026920 -1.5026920 -1.5016109 -1.5016109 -1.5014950 :EIG00036: -1.5014950 -1.4990115 -1.4990115 -1.4969482 -1.4969482 :EIG00041: -0.2398508 -0.2398508 -0.1121695 -0.1121695 0.2767175 :EIG00046: 0.2767175 0.4062954 0.4062954 0.4391656 0.4391656 :EIG00051: 0.4943324 0.4943324 0.5141709 0.5141709 0.5239379 :EIG00056: 0.5239379 0.5481351 0.5481351 0.7044502 0.7044502 :EIG00061: 0.8616111 0.8616111 0.8659248 0.8659248 0.9904897 :EIG00066: 0.9904897 1.0370367 1.0370367 1.1626694 1.1626694 :EIG00071: 1.2977814 1.2977814 1.3880063 1.3880063 1.4795283 :EIG00076: 1.4795283 1.4802172 1.4802172 1.5593088 1.5593088 :EIG00081: 1.6119627 1.6119627 1.6265613 1.6265613 1.6734073 :EIG00086: 1.6734073 1.7120524 1.7120524 1.7230818 1.7230818 :EIG00091: 1.7885826 1.7885826 1.9556204 1.9556204 1.9604732 :EIG00096: 1.9604732 ******************************************************** :KPT : NUMBER OF K-POINTS: 115