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= 0.25000 0.13636 0.00000 1726 :RKM : MATRIX SIZE 712LOs: 98 RKM= 7.99 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141042 -6.5140937 -6.5140582 -6.5140520 -6.5119970 :EIG00006: -6.5119823 -6.5116774 -6.5116679 -6.5045849 -6.5045800 :EIG00011: -6.5045538 -6.5044760 -5.7619290 -5.7619252 -3.3037099 :EIG00016: -3.3037022 -3.2772427 -3.2772422 -3.2565238 -3.2565230 :EIG00021: -1.5163677 -1.5159718 -1.5103043 -1.5100774 -1.5088593 :EIG00026: -1.5079683 -1.5055870 -1.5049529 -1.5037380 -1.5032820 :EIG00031: -1.5027708 -1.5020556 -1.5019969 -1.5018693 -1.5012681 :EIG00036: -1.5010699 -1.4994575 -1.4989706 -1.4971402 -1.4964897 :EIG00041: -0.2995073 -0.1699861 -0.1163920 -0.0691882 0.2021471 :EIG00046: 0.2528183 0.2835975 0.4266230 0.4667320 0.4949341 :EIG00051: 0.4997117 0.5019916 0.5065673 0.5154377 0.5296865 :EIG00056: 0.5358431 0.5519666 0.5629380 0.7370895 0.7878417 :EIG00061: 0.7948054 0.8168969 0.9163090 0.9489621 0.9789345 :EIG00066: 1.0228559 1.0477857 1.1085096 1.1376531 1.1665164 :EIG00071: 1.2202609 1.2669349 1.3044464 1.3786857 1.3998214 :EIG00076: 1.4002114 1.4179862 1.4589338 1.5060012 1.5207971 :EIG00081: 1.5210155 1.5666954 1.6212668 1.6744252 1.6890523 :EIG00086: 1.7328852 1.7381611 1.7826586 1.7834674 1.8409102 :EIG00091: 1.8786593 1.8827831 1.9205295 1.9466576 1.9805457 ******************************************************** :KPT : NUMBER OF K-POINTS: 115