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= 0.16667 0.31818 0.00000 1266 :RKM : MATRIX SIZE 707LOs: 98 RKM= 8.00 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5141035 -6.5140897 -6.5140514 -6.5140454 -6.5119899 :EIG00006: -6.5119842 -6.5116738 -6.5116709 -6.5045770 -6.5045680 :EIG00011: -6.5045500 -6.5044893 -5.7619336 -5.7619309 -3.3037154 :EIG00016: -3.3037099 -3.2772390 -3.2772384 -3.2565343 -3.2565309 :EIG00021: -1.5162867 -1.5159781 -1.5102311 -1.5101369 -1.5087029 :EIG00026: -1.5080965 -1.5054346 -1.5048970 -1.5035659 -1.5032191 :EIG00031: -1.5027202 -1.5022718 -1.5018089 -1.5016073 -1.5014436 :EIG00036: -1.5011917 -1.4992614 -1.4987731 -1.4972808 -1.4965449 :EIG00041: -0.2902778 -0.2085461 -0.0948465 -0.0588484 0.2166230 :EIG00046: 0.2466504 0.3405259 0.3839625 0.4405513 0.4952587 :EIG00051: 0.4979452 0.5035678 0.5056100 0.5151782 0.5292768 :EIG00056: 0.5381180 0.5485678 0.5562046 0.7255420 0.7620765 :EIG00061: 0.7872199 0.7973796 0.8925610 0.9017742 1.0166132 :EIG00066: 1.0367036 1.0756685 1.1274471 1.1515928 1.1865140 :EIG00071: 1.2763052 1.3006972 1.3676111 1.3959682 1.4173034 :EIG00076: 1.4309635 1.4562845 1.4675461 1.4966772 1.5487683 :EIG00081: 1.5505592 1.5576093 1.6078752 1.6280171 1.6432618 :EIG00086: 1.6737248 1.7036184 1.7334075 1.7353613 1.7998942 :EIG00091: 1.8502378 1.8566676 1.8629158 1.8708283 1.9449901 ******************************************************** :KPT : NUMBER OF K-POINTS: 115