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= 0.41667 0.18182 0.26667 2865 :RKM : MATRIX SIZE 706LOs: 98 RKM= 7.99 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141650 -6.5141555 -6.5141422 -6.5141382 -6.5119886 :EIG00006: -6.5119854 -6.5116699 -6.5116663 -6.5045752 -6.5045689 :EIG00011: -6.5045099 -6.5044935 -5.7618784 -5.7618778 -3.3043660 :EIG00016: -3.3043657 -3.2771697 -3.2771689 -3.2564545 -3.2564538 :EIG00021: -1.5127008 -1.5126608 -1.5103207 -1.5101294 -1.5068550 :EIG00026: -1.5065558 -1.5052652 -1.5052001 -1.5036339 -1.5034900 :EIG00031: -1.5029969 -1.5028747 -1.5025252 -1.5022537 -1.5011828 :EIG00036: -1.5010959 -1.4989528 -1.4988025 -1.4968843 -1.4967660 :EIG00041: -0.1907052 -0.1487468 -0.0478149 -0.0263687 0.2673192 :EIG00046: 0.2864981 0.3738401 0.3972583 0.4168234 0.4413591 :EIG00051: 0.4652190 0.4734568 0.4860330 0.5001064 0.5158960 :EIG00056: 0.5202649 0.5495939 0.5544121 0.6663761 0.6857889 :EIG00061: 0.6960395 0.7240121 0.7844717 0.7973401 0.8522248 :EIG00066: 0.8893668 1.0101316 1.0547949 1.0690937 1.1246578 :EIG00071: 1.1587958 1.2610666 1.2812569 1.3008826 1.3423747 :EIG00076: 1.3878797 1.4465891 1.4658606 1.5053155 1.5232320 :EIG00081: 1.5949058 1.6331283 1.6781130 1.6966183 1.7427001 :EIG00086: 1.7783718 1.7920474 1.8470717 1.8582417 1.8666083 :EIG00091: 1.8876340 1.9985770 ******************************************************** :KPT : NUMBER OF K-POINTS: 358