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= 0.29167 0.04545 0.00000 1956 :RKM : MATRIX SIZE 709LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141077 -6.5140826 -6.5140598 -6.5140551 -6.5119918 :EIG00006: -6.5119852 -6.5116785 -6.5116682 -6.5045840 -6.5045797 :EIG00011: -6.5045473 -6.5044745 -5.7619341 -5.7619303 -3.3037170 :EIG00016: -3.3037089 -3.2772406 -3.2772380 -3.2565340 -3.2565328 :EIG00021: -1.5163981 -1.5159672 -1.5102839 -1.5100628 -1.5087703 :EIG00026: -1.5079420 -1.5055340 -1.5050338 -1.5037381 -1.5034174 :EIG00031: -1.5026426 -1.5020601 -1.5019852 -1.5019685 -1.5012534 :EIG00036: -1.5010619 -1.4994360 -1.4990281 -1.4969411 -1.4964847 :EIG00041: -0.2964954 -0.1795517 -0.0983923 -0.0793708 0.1936161 :EIG00046: 0.2306319 0.2913960 0.4566543 0.4676930 0.4968960 :EIG00051: 0.4999763 0.5003166 0.5075982 0.5130765 0.5321371 :EIG00056: 0.5339993 0.5545718 0.5688115 0.7322231 0.7907210 :EIG00061: 0.7935689 0.8598982 0.9153771 0.9515567 0.9760127 :EIG00066: 1.0158364 1.0322319 1.0598836 1.1374656 1.1550442 :EIG00071: 1.2003066 1.2216613 1.2968906 1.3937962 1.3946309 :EIG00076: 1.4150567 1.4473322 1.4482133 1.4855038 1.5039034 :EIG00081: 1.5223241 1.5680611 1.6448112 1.7269488 1.7269937 :EIG00086: 1.7633037 1.7636221 1.7741029 1.8101211 1.8587498 :EIG00091: 1.8743141 1.8955226 1.9198622 1.9591681 1.9966377 ******************************************************** :KPT : NUMBER OF K-POINTS: 115