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= 0.50000 0.04545 0.00000 3336 :RKM : MATRIX SIZE 718LOs: 98 RKM= 7.98 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140894 -6.5140894 -6.5140689 -6.5140689 -6.5119926 :EIG00006: -6.5119926 -6.5116832 -6.5116832 -6.5045870 -6.5045870 :EIG00011: -6.5045159 -6.5045159 -5.7619325 -5.7619325 -3.3037144 :EIG00016: -3.3037144 -3.2772428 -3.2772428 -3.2565346 -3.2565346 :EIG00021: -1.5162468 -1.5162468 -1.5102301 -1.5102301 -1.5083858 :EIG00026: -1.5083858 -1.5054055 -1.5054055 -1.5037387 -1.5037387 :EIG00031: -1.5022804 -1.5022804 -1.5020188 -1.5020188 -1.5011756 :EIG00036: -1.5011756 -1.4993200 -1.4993200 -1.4967118 -1.4967118 :EIG00041: -0.2467493 -0.2467493 -0.0849568 -0.0849568 0.1839685 :EIG00046: 0.1839685 0.4229426 0.4229426 0.5005117 0.5005117 :EIG00051: 0.5007930 0.5007930 0.5066313 0.5066313 0.5232380 :EIG00056: 0.5232380 0.5598196 0.5598196 0.7852661 0.7852661 :EIG00061: 0.8588079 0.8588079 0.8656870 0.8656870 0.9956136 :EIG00066: 0.9956136 1.0143233 1.0143233 1.1066819 1.1066819 :EIG00071: 1.1716492 1.1716492 1.3344868 1.3344868 1.4061288 :EIG00076: 1.4061288 1.4516639 1.4516639 1.5899504 1.5899504 :EIG00081: 1.6561823 1.6561823 1.6628695 1.6628695 1.6941117 :EIG00086: 1.6941117 1.8663396 1.8663396 1.8837206 1.8837206 :EIG00091: 1.9165447 1.9165447 1.9554741 1.9554741 1.9584445 :EIG00096: 1.9584445 ******************************************************** :KPT : NUMBER OF K-POINTS: 115