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= 0.45833 0.36364 0.04444 3223 :RKM : MATRIX SIZE 713LOs: 98 RKM= 8.00 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140873 -6.5140819 -6.5140750 -6.5140693 -6.5120059 :EIG00006: -6.5120011 -6.5116722 -6.5116671 -6.5045750 -6.5045687 :EIG00011: -6.5045307 -6.5045230 -5.7619147 -5.7619145 -3.3037192 :EIG00016: -3.3037188 -3.2772296 -3.2772292 -3.2565070 -3.2565067 :EIG00021: -1.5160208 -1.5159520 -1.5101211 -1.5101007 -1.5085212 :EIG00026: -1.5084542 -1.5054201 -1.5053318 -1.5033999 -1.5032755 :EIG00031: -1.5028068 -1.5026943 -1.5016787 -1.5016552 -1.5014601 :EIG00036: -1.5014300 -1.4989902 -1.4989109 -1.4969611 -1.4969114 :EIG00041: -0.2298310 -0.2120464 -0.1457115 -0.1310361 0.2758801 :EIG00046: 0.2946333 0.3932865 0.4246325 0.4717610 0.4773746 :EIG00051: 0.4907714 0.4925283 0.5107136 0.5116445 0.5233212 :EIG00056: 0.5286296 0.5390697 0.5454666 0.6985652 0.7034897 :EIG00061: 0.8307771 0.8455824 0.8598511 0.8876141 0.9134413 :EIG00066: 0.9354079 1.0437685 1.0898593 1.1879766 1.1934474 :EIG00071: 1.2431615 1.2680447 1.3410033 1.3533615 1.4209403 :EIG00076: 1.4288764 1.4664471 1.4747372 1.5443116 1.5607046 :EIG00081: 1.6064296 1.6272669 1.6645465 1.6866189 1.6886753 :EIG00086: 1.7088008 1.7572289 1.7743772 1.8150307 1.8339393 :EIG00091: 1.8778366 1.8825263 1.8912921 1.9273295 1.9484903 :EIG00096: 1.9750354 ******************************************************** :KPT : NUMBER OF K-POINTS: 358