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= 0.25000 0.36364 0.00000 1841 :RKM : MATRIX SIZE 714LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141015 -6.5140884 -6.5140590 -6.5140508 -6.5119991 :EIG00006: -6.5119866 -6.5116757 -6.5116689 -6.5045767 -6.5045682 :EIG00011: -6.5045470 -6.5045030 -5.7619332 -5.7619315 -3.3037148 :EIG00016: -3.3037112 -3.2772405 -3.2772388 -3.2565343 -3.2565314 :EIG00021: -1.5162392 -1.5160287 -1.5102801 -1.5101639 -1.5086531 :EIG00026: -1.5082457 -1.5054444 -1.5050727 -1.5035632 -1.5031769 :EIG00031: -1.5028575 -1.5023513 -1.5017379 -1.5016115 -1.5014307 :EIG00036: -1.5013047 -1.4991730 -1.4989079 -1.4971358 -1.4967687 :EIG00041: -0.2725367 -0.2135020 -0.1168834 -0.0798690 0.2371825 :EIG00046: 0.2737200 0.3630647 0.3940806 0.4459983 0.4839344 :EIG00051: 0.4938015 0.4989261 0.5094301 0.5157235 0.5244593 :EIG00056: 0.5315064 0.5449463 0.5533117 0.7159259 0.7372172 :EIG00061: 0.8174988 0.8214767 0.8906624 0.8939090 0.9905898 :EIG00066: 1.0170241 1.0230082 1.0907477 1.1525861 1.1773971 :EIG00071: 1.2860389 1.3130895 1.3391390 1.3759364 1.4530470 :EIG00076: 1.4647261 1.4768124 1.4944863 1.5263976 1.5640846 :EIG00081: 1.5783072 1.5922237 1.5983570 1.6387398 1.6453810 :EIG00086: 1.6741703 1.7002185 1.7225439 1.7808108 1.7935855 :EIG00091: 1.8035126 1.8377947 1.9082455 1.9136663 1.9419360 :EIG00096: 1.9723245 ******************************************************** :KPT : NUMBER OF K-POINTS: 115