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 0.13636 0.00000 3106 :RKM : MATRIX SIZE 721LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140938 -6.5140870 -6.5140715 -6.5140661 -6.5119975 :EIG00006: -6.5119947 -6.5116835 -6.5116792 -6.5045893 -6.5045888 :EIG00011: -6.5045263 -6.5045111 -5.7619276 -5.7619268 -3.3037077 :EIG00016: -3.3037062 -3.2772455 -3.2772443 -3.2565246 -3.2565241 :EIG00021: -1.5162614 -1.5161752 -1.5102551 -1.5102262 -1.5084996 :EIG00026: -1.5083107 -1.5054807 -1.5053491 -1.5037575 -1.5036922 :EIG00031: -1.5024329 -1.5022953 -1.5020063 -1.5019880 -1.5012381 :EIG00036: -1.5012281 -1.4993332 -1.4992514 -1.4968317 -1.4967113 :EIG00041: -0.2548844 -0.2309966 -0.1011560 -0.0901084 0.1952161 :EIG00046: 0.2079627 0.4002971 0.4403150 0.4970499 0.4976707 :EIG00051: 0.4990569 0.5038327 0.5080287 0.5104803 0.5176596 :EIG00056: 0.5229641 0.5538055 0.5568889 0.7550789 0.7730865 :EIG00061: 0.8474852 0.8531863 0.8804034 0.8863172 0.9812994 :EIG00066: 0.9846643 0.9945588 1.0197408 1.1412216 1.1519437 :EIG00071: 1.1822078 1.1886721 1.3196371 1.3366700 1.4145187 :EIG00076: 1.4246527 1.4625732 1.4776310 1.4956201 1.5563868 :EIG00081: 1.6331059 1.6355439 1.6702330 1.6917619 1.7278434 :EIG00086: 1.7870198 1.8208926 1.8461875 1.8599803 1.8654025 :EIG00091: 1.9061549 1.9217033 1.9285940 1.9308367 1.9527869 :EIG00096: 1.9803588 1.9889764 1.9910875 ******************************************************** :KPT : NUMBER OF K-POINTS: 115