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= 0.33333 0.18182 0.00000 2301 :RKM : MATRIX SIZE 718LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141001 -6.5140900 -6.5140686 -6.5140547 -6.5119984 :EIG00006: -6.5119831 -6.5116815 -6.5116768 -6.5045888 -6.5045796 :EIG00011: -6.5045447 -6.5044925 -5.7619284 -5.7619258 -3.3037090 :EIG00016: -3.3037035 -3.2772438 -3.2772429 -3.2565243 -3.2565231 :EIG00021: -1.5163242 -1.5161159 -1.5103383 -1.5102027 -1.5087045 :EIG00026: -1.5080475 -1.5055511 -1.5051530 -1.5037919 -1.5034280 :EIG00031: -1.5027138 -1.5021728 -1.5019787 -1.5018568 -1.5012914 :EIG00036: -1.5011643 -1.4993806 -1.4990682 -1.4969763 -1.4965875 :EIG00041: -0.2811528 -0.1916654 -0.1245953 -0.0773747 0.1994007 :EIG00046: 0.2537933 0.3252455 0.4436851 0.4776885 0.4943815 :EIG00051: 0.5016952 0.5058732 0.5058778 0.5147077 0.5217607 :EIG00056: 0.5347206 0.5468943 0.5584749 0.7500194 0.7772154 :EIG00061: 0.7980579 0.8144741 0.9014837 0.9417572 0.9532759 :EIG00066: 0.9972753 1.0114994 1.1052108 1.1454934 1.1518652 :EIG00071: 1.2044650 1.2423294 1.3095971 1.3606894 1.4015679 :EIG00076: 1.4158738 1.4530099 1.4547815 1.5158837 1.5562894 :EIG00081: 1.5717785 1.6074488 1.6515144 1.6834813 1.6998396 :EIG00086: 1.7450419 1.8037527 1.8115031 1.8227016 1.8360031 :EIG00091: 1.8716573 1.8829899 1.9028926 1.9396785 1.9460233 :EIG00096: 1.9764570 1.9942046 ******************************************************** :KPT : NUMBER OF K-POINTS: 115