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= 0.20833 0.45455 0.00000 1611 :RKM : MATRIX SIZE 718LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140985 -6.5140921 -6.5140588 -6.5140506 -6.5119902 :EIG00006: -6.5119876 -6.5116746 -6.5116712 -6.5045768 -6.5045723 :EIG00011: -6.5045316 -6.5045165 -5.7619274 -5.7619268 -3.3037065 :EIG00016: -3.3037047 -3.2772420 -3.2772416 -3.2565240 -3.2565212 :EIG00021: -1.5161806 -1.5161342 -1.5102379 -1.5101600 -1.5085589 :EIG00026: -1.5083723 -1.5053120 -1.5051491 -1.5035092 -1.5033878 :EIG00031: -1.5025961 -1.5024529 -1.5016461 -1.5016404 -1.5014945 :EIG00036: -1.5014234 -1.4991007 -1.4989582 -1.4970430 -1.4968660 :EIG00041: -0.2608851 -0.2404151 -0.0926447 -0.0807481 0.2442182 :EIG00046: 0.2560782 0.3756879 0.3962960 0.4391893 0.4642979 :EIG00051: 0.4959601 0.4979537 0.5109612 0.5133583 0.5289846 :EIG00056: 0.5309359 0.5486950 0.5513063 0.7127481 0.7243856 :EIG00061: 0.8345188 0.8406811 0.8585136 0.8730721 1.0130649 :EIG00066: 1.0206174 1.0485856 1.0661621 1.1586347 1.1682463 :EIG00071: 1.3109450 1.3265192 1.3992451 1.4313455 1.4533858 :EIG00076: 1.4585673 1.4702765 1.4802202 1.5270042 1.5405568 :EIG00081: 1.5887385 1.5921216 1.6009020 1.6218542 1.6259859 :EIG00086: 1.6390494 1.6931452 1.7260362 1.7490481 1.7675534 :EIG00091: 1.7860776 1.8206170 1.9051581 1.9410829 1.9629533 :EIG00096: 1.9810330 1.9812162 ******************************************************** :KPT : NUMBER OF K-POINTS: 115