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 0.00000 0.00000 2761 :RKM : MATRIX SIZE 716LOs: 98 RKM= 7.96 WEIGHT= 2.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140975 -6.5140840 -6.5140714 -6.5140638 -6.5119930 :EIG00006: -6.5119917 -6.5116803 -6.5116773 -6.5045903 -6.5045822 :EIG00011: -6.5045313 -6.5044988 -5.7619279 -5.7619263 -3.3037079 :EIG00016: -3.3037061 -3.2772450 -3.2772433 -3.2565239 -3.2565235 :EIG00021: -1.5163020 -1.5161230 -1.5102671 -1.5101752 -1.5085750 :EIG00026: -1.5082051 -1.5055400 -1.5052573 -1.5037677 -1.5036679 :EIG00031: -1.5023861 -1.5021385 -1.5020571 -1.5019978 -1.5012410 :EIG00036: -1.5010993 -1.4993971 -1.4992294 -1.4967464 -1.4966339 :EIG00041: -0.2699008 -0.2213992 -0.0863680 -0.0825296 0.1799406 :EIG00046: 0.1933422 0.3732759 0.4544610 0.4911628 0.4992935 :EIG00051: 0.5023360 0.5042808 0.5045415 0.5087490 0.5256316 :EIG00056: 0.5281750 0.5571500 0.5663321 0.7711582 0.7804993 :EIG00061: 0.8331911 0.8551313 0.8851281 0.9001675 0.9874088 :EIG00066: 1.0044769 1.0051489 1.0606227 1.0703898 1.1302039 :EIG00071: 1.1582070 1.1876117 1.3163069 1.3590127 1.3986657 :EIG00076: 1.4162984 1.4357693 1.4618426 1.5518211 1.5830318 :EIG00081: 1.6004077 1.6161551 1.6870255 1.7064948 1.7221669 :EIG00086: 1.7379473 1.7937800 1.8229047 1.8553962 1.8787123 :EIG00091: 1.9073723 1.9575642 1.9587100 1.9743307 1.9803427 :EIG00096: 1.9891074 ******************************************************** :KPT : NUMBER OF K-POINTS: 115