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= 0.50000 0.00901 0.50000 :RKM : MATRIX SIZE 686LOs: 98 RKM= 8.00 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5142337 -6.5142337 -6.5141977 -6.5141977 -6.5119684 :EIG00006: -6.5119684 -6.5116659 -6.5116659 -6.5045792 -6.5045792 :EIG00011: -6.5044696 -6.5044696 -5.7618522 -5.7618522 -3.3049198 :EIG00016: -3.3049198 -3.2771134 -3.2771134 -3.2564184 -3.2564184 :EIG00021: -1.5115354 -1.5115354 -1.5106165 -1.5106165 -1.5078153 :EIG00026: -1.5078153 -1.5045012 -1.5045012 -1.5044328 -1.5044328 :EIG00031: -1.5020489 -1.5020489 -1.5011078 -1.5011078 -1.4991333 :EIG00036: -1.4991333 -1.4985839 -1.4985839 -1.4968373 -1.4968373 :EIG00041: -0.0665931 -0.0665931 0.0418115 0.0418115 0.2701257 :EIG00046: 0.2701257 0.2711163 0.2711163 0.3865916 0.3865916 :EIG00051: 0.4223654 0.4223654 0.4567989 0.4567989 0.4979780 :EIG00056: 0.4979780 0.5427625 0.5427625 0.6623551 0.6623551 :EIG00061: 0.6905226 0.6905226 0.8509316 0.8509316 0.8607619 :EIG00066: 0.8607619 1.0084883 1.0084883 1.1207135 1.1207135 :EIG00071: 1.1830181 1.1830181 1.2568676 1.2568676 1.2715562 :EIG00076: 1.2715562 1.2990793 1.2990793 1.3452779 1.3452779 :EIG00081: 1.4227887 1.4227887 1.7473400 1.7473400 1.7929457 :EIG00086: 1.7929457 1.9576433 1.9576433 ******************************************************** :KPT : NUMBER OF K-POINTS: 9