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 0.27273 0.00000 3451 :RKM : MATRIX SIZE 724LOs: 98 RKM= 7.99 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140883 -6.5140883 -6.5140721 -6.5140721 -6.5120011 :EIG00006: -6.5120011 -6.5116794 -6.5116794 -6.5045850 -6.5045850 :EIG00011: -6.5045243 -6.5045243 -5.7619324 -5.7619324 -3.3037141 :EIG00016: -3.3037141 -3.2772414 -3.2772414 -3.2565343 -3.2565343 :EIG00021: -1.5161985 -1.5161985 -1.5102935 -1.5102935 -1.5084748 :EIG00026: -1.5084748 -1.5054383 -1.5054383 -1.5035799 -1.5035799 :EIG00031: -1.5026333 -1.5026333 -1.5018100 -1.5018100 -1.5013730 :EIG00036: -1.5013730 -1.4991117 -1.4991117 -1.4968893 -1.4968893 :EIG00041: -0.2322594 -0.2322594 -0.1228188 -0.1228188 0.2469741 :EIG00046: 0.2469741 0.4192330 0.4192330 0.4923942 0.4923942 :EIG00051: 0.4941904 0.4941904 0.5132638 0.5132638 0.5146223 :EIG00056: 0.5146223 0.5465201 0.5465201 0.7223020 0.7223020 :EIG00061: 0.8499014 0.8499014 0.8814931 0.8814931 0.9661410 :EIG00066: 0.9661410 1.0265160 1.0265160 1.1609466 1.1609466 :EIG00071: 1.2462228 1.2462228 1.3265796 1.3265796 1.4401733 :EIG00076: 1.4401733 1.4564682 1.4564682 1.5209853 1.5209853 :EIG00081: 1.6529692 1.6529692 1.6627062 1.6627062 1.7657823 :EIG00086: 1.7657823 1.7840677 1.7840677 1.8537327 1.8537327 :EIG00091: 1.8918463 1.8918463 1.9074483 1.9074483 1.9437535 :EIG00096: 1.9437535 1.9825141 1.9825141 ******************************************************** :KPT : NUMBER OF K-POINTS: 115