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= 0.08333 0.31818 0.06667 717 :RKM : MATRIX SIZE 704LOs: 98 RKM= 8.00 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141114 -6.5141029 -6.5140550 -6.5140529 -6.5119874 :EIG00006: -6.5119817 -6.5116743 -6.5116734 -6.5045748 -6.5045704 :EIG00011: -6.5045516 -6.5044871 -5.7619146 -5.7619115 -3.3037521 :EIG00016: -3.3037452 -3.2772266 -3.2772252 -3.2565079 -3.2565038 :EIG00021: -1.5160319 -1.5156968 -1.5098194 -1.5097942 -1.5088910 :EIG00026: -1.5081858 -1.5054720 -1.5049411 -1.5033818 -1.5031880 :EIG00031: -1.5025651 -1.5023236 -1.5019663 -1.5017346 -1.5015464 :EIG00036: -1.5012517 -1.4993054 -1.4986030 -1.4972915 -1.4965734 :EIG00041: -0.2918947 -0.2085619 -0.0672588 -0.0469080 0.1986513 :EIG00046: 0.2553855 0.3129727 0.4011745 0.4307353 0.4887607 :EIG00051: 0.4986405 0.5010579 0.5082920 0.5144275 0.5338496 :EIG00056: 0.5398123 0.5505907 0.5595342 0.7190956 0.7417088 :EIG00061: 0.7588015 0.8106273 0.8474658 0.8938161 0.9883105 :EIG00066: 0.9990022 1.1308867 1.1732646 1.1959454 1.2277174 :EIG00071: 1.2821476 1.2994974 1.3278655 1.3726228 1.3792703 :EIG00076: 1.4156525 1.4369369 1.4589370 1.5277967 1.5366527 :EIG00081: 1.5644479 1.5742541 1.5848462 1.6281875 1.6487208 :EIG00086: 1.6742140 1.7022481 1.7148646 1.7777253 1.7917666 :EIG00091: 1.8063870 1.8323458 1.8877434 1.9195444 1.9480931 :EIG00096: 1.9803151 ******************************************************** :KPT : NUMBER OF K-POINTS: 358