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= 0.37500 0.09091 0.00000 2531 :RKM : MATRIX SIZE 717LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141010 -6.5140847 -6.5140700 -6.5140611 -6.5119947 :EIG00006: -6.5119872 -6.5116812 -6.5116760 -6.5045905 -6.5045819 :EIG00011: -6.5045383 -6.5044934 -5.7619283 -5.7619260 -3.3037088 :EIG00016: -3.3037044 -3.2772449 -3.2772420 -3.2565240 -3.2565231 :EIG00021: -1.5163283 -1.5160645 -1.5102758 -1.5101289 -1.5086474 :EIG00026: -1.5081257 -1.5055991 -1.5051949 -1.5037843 -1.5035623 :EIG00031: -1.5025208 -1.5020648 -1.5020475 -1.5020063 -1.5012607 :EIG00036: -1.5011369 -1.4994070 -1.4991974 -1.4968074 -1.4966275 :EIG00041: -0.2779824 -0.2064625 -0.1014334 -0.0788549 0.1854690 :EIG00046: 0.2149472 0.3469929 0.4576876 0.4845982 0.4968712 :EIG00051: 0.5027216 0.5044995 0.5052586 0.5116296 0.5252262 :EIG00056: 0.5314912 0.5542859 0.5647272 0.7534585 0.7811708 :EIG00061: 0.8208396 0.8356184 0.9048923 0.9197613 0.9760407 :EIG00066: 0.9928242 1.0084772 1.0750496 1.0982794 1.1486408 :EIG00071: 1.1806990 1.1993677 1.3077746 1.3648079 1.4024779 :EIG00076: 1.4314042 1.4364358 1.4706679 1.4801712 1.5730528 :EIG00081: 1.5853651 1.6133106 1.6667959 1.7128714 1.7329460 :EIG00086: 1.7545926 1.7998892 1.8186959 1.8314203 1.8761720 :EIG00091: 1.8814160 1.9066302 1.9413430 1.9593668 1.9595564 :EIG00096: 1.9782468 ******************************************************** :KPT : NUMBER OF K-POINTS: 115