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= 0.41667 0.45455 0.00000 2991 :RKM : MATRIX SIZE 718LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140863 -6.5140849 -6.5140699 -6.5140694 -6.5120035 :EIG00006: -6.5120025 -6.5116683 -6.5116673 -6.5045699 -6.5045665 :EIG00011: -6.5045356 -6.5045283 -5.7619324 -5.7619322 -3.3037137 :EIG00016: -3.3037133 -3.2772403 -3.2772401 -3.2565324 -3.2565323 :EIG00021: -1.5161563 -1.5161261 -1.5103073 -1.5102909 -1.5084935 :EIG00026: -1.5084404 -1.5053434 -1.5053005 -1.5033400 -1.5031562 :EIG00031: -1.5030206 -1.5028373 -1.5016256 -1.5016134 -1.5014646 :EIG00036: -1.5014519 -1.4989693 -1.4989346 -1.4969952 -1.4969466 :EIG00041: -0.2270590 -0.2138435 -0.1511330 -0.1398822 0.2976462 :EIG00046: 0.3162565 0.3853024 0.4146955 0.4542258 0.4630979 :EIG00051: 0.4917177 0.4923262 0.5154144 0.5162276 0.5204131 :EIG00056: 0.5238469 0.5395532 0.5439025 0.6893349 0.6919415 :EIG00061: 0.8351027 0.8442534 0.8825796 0.9017908 0.9414961 :EIG00066: 0.9560302 1.0590689 1.0944006 1.1591854 1.1623492 :EIG00071: 1.2425783 1.2636999 1.3252182 1.3414823 1.4659846 :EIG00076: 1.4814750 1.4989784 1.5074896 1.5863697 1.6055921 :EIG00081: 1.6190118 1.6365600 1.6398465 1.6607206 1.6661826 :EIG00086: 1.6912194 1.7064349 1.7312205 1.7578523 1.7671382 :EIG00091: 1.8389598 1.8556250 1.8759972 1.8891711 1.9425249 :EIG00096: 1.9550542 ******************************************************** :KPT : NUMBER OF K-POINTS: 115