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 0.00000 0.00000 1381 :RKM : MATRIX SIZE 718LOs: 98 RKM= 8.00 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141084 -6.5140940 -6.5140572 -6.5140566 -6.5119956 :EIG00006: -6.5119882 -6.5116868 -6.5116696 -6.5045877 -6.5045859 :EIG00011: -6.5045627 -6.5044675 -5.7619295 -5.7619249 -3.3037112 :EIG00016: -3.3037024 -3.2772429 -3.2772422 -3.2565243 -3.2565234 :EIG00021: -1.5164594 -1.5159321 -1.5103130 -1.5100573 -1.5090076 :EIG00026: -1.5079444 -1.5056760 -1.5049083 -1.5037016 -1.5033809 :EIG00031: -1.5028775 -1.5021046 -1.5020732 -1.5019698 -1.5012488 :EIG00036: -1.5011316 -1.4995546 -1.4988829 -1.4971772 -1.4964876 :EIG00041: -0.3099730 -0.1534278 -0.0973987 -0.0824875 0.2096405 :EIG00046: 0.2418292 0.2591305 0.4353104 0.4611167 0.4796227 :EIG00051: 0.4967240 0.4979604 0.5108752 0.5149191 0.5296081 :EIG00056: 0.5385970 0.5546443 0.5641481 0.7120087 0.7725944 :EIG00061: 0.8323356 0.8742214 0.9158824 0.9591166 0.9990178 :EIG00066: 1.0197166 1.0330939 1.0925765 1.1345196 1.2346731 :EIG00071: 1.2350607 1.2523083 1.2900005 1.3798872 1.3845549 :EIG00076: 1.4023369 1.4349387 1.4397699 1.4768011 1.4924799 :EIG00081: 1.4963344 1.5391083 1.5580898 1.6972462 1.7064280 :EIG00086: 1.7073467 1.7184458 1.7209437 1.7568704 1.8739477 :EIG00091: 1.9068622 1.9524943 1.9541076 1.9772209 1.9837872 ******************************************************** :KPT : NUMBER OF K-POINTS: 115