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: -6.5141078 -6.5140827 -6.5140599 -6.5140552 -6.5119918 :EIG00006: -6.5119853 -6.5116785 -6.5116682 -6.5045841 -6.5045798 :EIG00011: -6.5045475 -6.5044747 -5.7619289 -5.7619251 -3.3037096 :EIG00016: -3.3037015 -3.2772434 -3.2772408 -3.2565235 -3.2565224 :EIG00021: -1.5163983 -1.5159674 -1.5102842 -1.5100630 -1.5087705 :EIG00026: -1.5079422 -1.5055342 -1.5050341 -1.5037383 -1.5034177 :EIG00031: -1.5026428 -1.5020604 -1.5019855 -1.5019687 -1.5012536 :EIG00036: -1.5010621 -1.4994362 -1.4990283 -1.4969413 -1.4964850 :EIG00041: -0.2964972 -0.1795534 -0.0983939 -0.0793721 0.1936152 :EIG00046: 0.2306314 0.2913901 0.4566538 0.4677032 0.4969047 :EIG00051: 0.4999473 0.5003180 0.5076083 0.5130766 0.5321762 :EIG00056: 0.5340538 0.5545286 0.5688047 0.7322219 0.7907123 :EIG00061: 0.7935676 0.8599029 0.9153875 0.9515562 0.9760111 :EIG00066: 1.0158347 1.0322304 1.0598829 1.1374651 1.1550412 :EIG00071: 1.2003039 1.2216612 1.2968896 1.3937945 1.3946299 :EIG00076: 1.4150529 1.4473335 1.4482124 1.4855018 1.5039044 :EIG00081: 1.5223218 1.5680607 1.6448069 1.7269467 1.7269911 :EIG00086: 1.7633041 1.7636202 1.7741009 1.8101189 1.8587474 :EIG00091: 1.8743125 1.8955213 1.9198582 1.9591665 1.9966359 ******************************************************** :KPT : NUMBER OF K-POINTS: 115