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= 0.41667 0.22727 0.00000 2876 :RKM : MATRIX SIZE 717LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140950 -6.5140758 -6.5140743 -6.5140591 -6.5119988 :EIG00006: -6.5119946 -6.5116801 -6.5116755 -6.5045868 -6.5045801 :EIG00011: -6.5045336 -6.5045075 -5.7619330 -5.7619317 -3.3037142 :EIG00016: -3.3037117 -3.2772415 -3.2772400 -3.2565350 -3.2565334 :EIG00021: -1.5162265 -1.5161264 -1.5103002 -1.5101660 -1.5085531 :EIG00026: -1.5082658 -1.5054390 -1.5052676 -1.5037258 -1.5034880 :EIG00031: -1.5026453 -1.5023475 -1.5018529 -1.5018154 -1.5013404 :EIG00036: -1.5012715 -1.4992463 -1.4990918 -1.4969572 -1.4967306 :EIG00041: -0.2582923 -0.2131696 -0.1265368 -0.0971571 0.2158387 :EIG00046: 0.2488185 0.3769214 0.4459478 0.4903735 0.4940741 :EIG00051: 0.4973927 0.4997696 0.5098167 0.5117823 0.5139927 :EIG00056: 0.5258045 0.5440916 0.5532740 0.7298908 0.7513135 :EIG00061: 0.8301372 0.8461306 0.8812907 0.9101640 0.9572565 :EIG00066: 0.9796816 0.9919820 1.0625213 1.1531303 1.1664038 :EIG00071: 1.2204797 1.2370583 1.3167898 1.3356895 1.4191400 :EIG00076: 1.4324646 1.4546268 1.4866063 1.5172602 1.5216066 :EIG00081: 1.6087390 1.6162238 1.6749240 1.7045705 1.7319921 :EIG00086: 1.7748792 1.8051346 1.8176860 1.8401172 1.8546511 :EIG00091: 1.8819971 1.8898251 1.9039964 1.9136567 1.9376579 :EIG00096: 1.9398275 1.9970272 ******************************************************** :KPT : NUMBER OF K-POINTS: 115