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 0.40909 0.00000 2416 :RKM : MATRIX SIZE 718LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140928 -6.5140854 -6.5140661 -6.5140605 -6.5120021 :EIG00006: -6.5119990 -6.5116735 -6.5116683 -6.5045764 -6.5045677 :EIG00011: -6.5045398 -6.5045167 -5.7619327 -5.7619320 -3.3037139 :EIG00016: -3.3037120 -3.2772413 -3.2772403 -3.2565332 -3.2565315 :EIG00021: -1.5162096 -1.5161149 -1.5103147 -1.5102779 -1.5085813 :EIG00026: -1.5083876 -1.5054020 -1.5052062 -1.5034892 -1.5031677 :EIG00031: -1.5030185 -1.5025797 -1.5016454 -1.5015540 -1.5014159 :EIG00036: -1.5013881 -1.4990831 -1.4989087 -1.4970947 -1.4968579 :EIG00041: -0.2506845 -0.2148404 -0.1367661 -0.1094840 0.2641331 :EIG00046: 0.3027608 0.3730963 0.4243810 0.4520072 0.4553331 :EIG00051: 0.4925630 0.4949317 0.5129807 0.5160605 0.5198725 :EIG00056: 0.5259911 0.5424525 0.5499689 0.7023124 0.7095083 :EIG00061: 0.8415010 0.8503870 0.8738646 0.8938635 0.9643332 :EIG00066: 0.9889458 1.0098663 1.0844555 1.1565752 1.1687558 :EIG00071: 1.2660111 1.2990412 1.3326812 1.3722284 1.4639062 :EIG00076: 1.4752667 1.4885150 1.4921255 1.5455970 1.5861487 :EIG00081: 1.6021948 1.6063127 1.6268032 1.6582191 1.6641089 :EIG00086: 1.7053630 1.7253491 1.7373702 1.7561061 1.7669883 :EIG00091: 1.7857379 1.8173239 1.9147273 1.9299274 1.9436410 :EIG00096: 1.9637323 ******************************************************** :KPT : NUMBER OF K-POINTS: 115