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 0.13636 0.00000 1726 :RKM : MATRIX SIZE 712LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141041 -6.5140936 -6.5140581 -6.5140520 -6.5119969 :EIG00006: -6.5119822 -6.5116773 -6.5116679 -6.5045848 -6.5045799 :EIG00011: -6.5045536 -6.5044758 -5.7619343 -5.7619304 -3.3037173 :EIG00016: -3.3037097 -3.2772398 -3.2772393 -3.2565343 -3.2565335 :EIG00021: -1.5163675 -1.5159716 -1.5103041 -1.5100771 -1.5088591 :EIG00026: -1.5079681 -1.5055868 -1.5049527 -1.5037378 -1.5032817 :EIG00031: -1.5027706 -1.5020554 -1.5019966 -1.5018690 -1.5012679 :EIG00036: -1.5010696 -1.4994573 -1.4989703 -1.4971399 -1.4964894 :EIG00041: -0.2995055 -0.1699845 -0.1163903 -0.0691868 0.2021480 :EIG00046: 0.2528197 0.2836014 0.4266273 0.4667089 0.4949279 :EIG00051: 0.4997415 0.5019877 0.5065596 0.5154351 0.5296551 :EIG00056: 0.5357890 0.5520100 0.5629511 0.7370902 0.7878431 :EIG00061: 0.7948079 0.8168863 0.9163073 0.9489636 0.9789351 :EIG00066: 1.0228575 1.0477868 1.1085091 1.1376538 1.1665186 :EIG00071: 1.2202624 1.2669372 1.3044478 1.3786832 1.3998231 :EIG00076: 1.4002123 1.4179905 1.4589350 1.5060008 1.5207981 :EIG00081: 1.5210177 1.5666978 1.6212689 1.6744272 1.6890546 :EIG00086: 1.7328876 1.7381621 1.7826602 1.7834689 1.8409124 :EIG00091: 1.8786609 1.8827873 1.9205313 1.9466598 1.9805474 ******************************************************** :KPT : NUMBER OF K-POINTS: 115