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: -6.5141016 -6.5140885 -6.5140591 -6.5140509 -6.5119991 :EIG00006: -6.5119867 -6.5116757 -6.5116690 -6.5045768 -6.5045683 :EIG00011: -6.5045472 -6.5045031 -5.7619279 -5.7619262 -3.3037073 :EIG00016: -3.3037038 -3.2772433 -3.2772417 -3.2565238 -3.2565210 :EIG00021: -1.5162394 -1.5160289 -1.5102803 -1.5101642 -1.5086533 :EIG00026: -1.5082460 -1.5054446 -1.5050729 -1.5035634 -1.5031772 :EIG00031: -1.5028577 -1.5023515 -1.5017381 -1.5016118 -1.5014309 :EIG00036: -1.5013049 -1.4991732 -1.4989081 -1.4971360 -1.4967690 :EIG00041: -0.2725385 -0.2135038 -0.1168852 -0.0798706 0.2371822 :EIG00046: 0.2737185 0.3630637 0.3940821 0.4460087 0.4839379 :EIG00051: 0.4938067 0.4989317 0.5094351 0.5157283 0.5244577 :EIG00056: 0.5314991 0.5449456 0.5533050 0.7159467 0.7372301 :EIG00061: 0.8174956 0.8214751 0.8906607 0.8939023 0.9905892 :EIG00066: 1.0170230 1.0230067 1.0907477 1.1525851 1.1773949 :EIG00071: 1.2860396 1.3130881 1.3391385 1.3759355 1.4530459 :EIG00076: 1.4647247 1.4768101 1.4944837 1.5263957 1.5640833 :EIG00081: 1.5783053 1.5922226 1.5983546 1.6387378 1.6453791 :EIG00086: 1.6741669 1.7002179 1.7225425 1.7808112 1.7935825 :EIG00091: 1.8035106 1.8377930 1.9082452 1.9136644 1.9419336 :EIG00096: 1.9723231 ******************************************************** :KPT : NUMBER OF K-POINTS: 115