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= 0.50000 0.04545 0.00000 3336 :RKM : MATRIX SIZE 718LOs: 98 RKM= 7.98 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140895 -6.5140895 -6.5140690 -6.5140690 -6.5119926 :EIG00006: -6.5119926 -6.5116832 -6.5116832 -6.5045872 -6.5045872 :EIG00011: -6.5045161 -6.5045161 -5.7619272 -5.7619272 -3.3037070 :EIG00016: -3.3037070 -3.2772457 -3.2772457 -3.2565241 -3.2565241 :EIG00021: -1.5162470 -1.5162470 -1.5102304 -1.5102304 -1.5083861 :EIG00026: -1.5083861 -1.5054058 -1.5054058 -1.5037390 -1.5037390 :EIG00031: -1.5022807 -1.5022807 -1.5020190 -1.5020190 -1.5011758 :EIG00036: -1.5011758 -1.4993202 -1.4993202 -1.4967120 -1.4967120 :EIG00041: -0.2467511 -0.2467511 -0.0849583 -0.0849583 0.1839678 :EIG00046: 0.1839678 0.4229310 0.4229310 0.5005216 0.5005216 :EIG00051: 0.5007831 0.5007831 0.5066315 0.5066315 0.5232901 :EIG00056: 0.5232901 0.5598002 0.5598002 0.7852574 0.7852574 :EIG00061: 0.8588151 0.8588151 0.8656863 0.8656863 0.9956119 :EIG00066: 0.9956119 1.0143229 1.0143229 1.1066801 1.1066801 :EIG00071: 1.1716499 1.1716499 1.3344858 1.3344858 1.4061276 :EIG00076: 1.4061276 1.4516604 1.4516604 1.5899503 1.5899503 :EIG00081: 1.6561807 1.6561807 1.6628677 1.6628677 1.6941119 :EIG00086: 1.6941119 1.8663373 1.8663373 1.8837188 1.8837188 :EIG00091: 1.9165427 1.9165427 1.9554700 1.9554700 1.9584423 :EIG00096: 1.9584423 ******************************************************** :KPT : NUMBER OF K-POINTS: 115