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: -6.5140984 -6.5140920 -6.5140587 -6.5140505 -6.5119902 :EIG00006: -6.5119875 -6.5116746 -6.5116712 -6.5045767 -6.5045722 :EIG00011: -6.5045315 -6.5045163 -5.7619326 -5.7619320 -3.3037140 :EIG00016: -3.3037122 -3.2772392 -3.2772388 -3.2565344 -3.2565317 :EIG00021: -1.5161804 -1.5161340 -1.5102377 -1.5101597 -1.5085586 :EIG00026: -1.5083721 -1.5053118 -1.5051488 -1.5035090 -1.5033876 :EIG00031: -1.5025959 -1.5024527 -1.5016458 -1.5016401 -1.5014942 :EIG00036: -1.5014231 -1.4991005 -1.4989580 -1.4970428 -1.4968657 :EIG00041: -0.2608833 -0.2404132 -0.0926430 -0.0807465 0.2442198 :EIG00046: 0.2560797 0.3756851 0.3962860 0.4391903 0.4642975 :EIG00051: 0.4959550 0.4979485 0.5109560 0.5133532 0.5289858 :EIG00056: 0.5309396 0.5486991 0.5513126 0.7127289 0.7243703 :EIG00061: 0.8345205 0.8406834 0.8585154 0.8730763 1.0130657 :EIG00066: 1.0206184 1.0485872 1.0661632 1.1586361 1.1682482 :EIG00071: 1.3109446 1.3265190 1.3992467 1.4313478 1.4533872 :EIG00076: 1.4585688 1.4702787 1.4802231 1.5270054 1.5405577 :EIG00081: 1.5887410 1.5921232 1.6009061 1.6218580 1.6259875 :EIG00086: 1.6390503 1.6931433 1.7260380 1.7490476 1.7675553 :EIG00091: 1.7860804 1.8206193 1.9051587 1.9410847 1.9629542 :EIG00096: 1.9810361 1.9812179 ******************************************************** :KPT : NUMBER OF K-POINTS: 115