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: -6.5140949 -6.5140949 -6.5140621 -6.5140621 -6.5119983 :EIG00006: -6.5119983 -6.5116747 -6.5116747 -6.5045714 -6.5045714 :EIG00011: -6.5045268 -6.5045268 -5.7619271 -5.7619271 -3.3037062 :EIG00016: -3.3037062 -3.2772436 -3.2772436 -3.2565222 -3.2565222 :EIG00021: -1.5161822 -1.5161822 -1.5102705 -1.5102705 -1.5085080 :EIG00026: -1.5085080 -1.5052994 -1.5052994 -1.5034162 -1.5034162 :EIG00031: -1.5026923 -1.5026923 -1.5016111 -1.5016111 -1.5014953 :EIG00036: -1.5014953 -1.4990118 -1.4990118 -1.4969484 -1.4969484 :EIG00041: -0.2398526 -0.2398526 -0.1121712 -0.1121712 0.2767181 :EIG00046: 0.2767181 0.4062985 0.4062985 0.4391649 0.4391649 :EIG00051: 0.4943377 0.4943377 0.5141759 0.5141759 0.5239307 :EIG00056: 0.5239307 0.5481350 0.5481350 0.7044712 0.7044712 :EIG00061: 0.8616095 0.8616095 0.8659173 0.8659173 0.9904888 :EIG00066: 0.9904888 1.0370368 1.0370368 1.1626675 1.1626675 :EIG00071: 1.2977819 1.2977819 1.3880043 1.3880043 1.4795264 :EIG00076: 1.4795264 1.4802159 1.4802159 1.5593073 1.5593073 :EIG00081: 1.6119611 1.6119611 1.6265595 1.6265595 1.6734054 :EIG00086: 1.6734054 1.7120521 1.7120521 1.7230798 1.7230798 :EIG00091: 1.7885789 1.7885789 1.9556188 1.9556188 1.9604724 :EIG00096: 1.9604724 ******************************************************** :KPT : NUMBER OF K-POINTS: 115