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 0.50000 0.00000 3566 :RKM : MATRIX SIZE 714LOs: 98 RKM= 7.98 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -6.5140851 -6.5140851 -6.5140728 -6.5140728 -6.5120005 :EIG00006: -6.5120005 -6.5116652 -6.5116652 -6.5045637 -6.5045637 :EIG00011: -6.5045309 -6.5045309 -5.7619322 -5.7619322 -3.3037126 :EIG00016: -3.3037126 -3.2772387 -3.2772387 -3.2565317 -3.2565317 :EIG00021: -1.5161247 -1.5161247 -1.5103795 -1.5103795 -1.5084183 :EIG00026: -1.5084183 -1.5052906 -1.5052906 -1.5031152 -1.5031152 :EIG00031: -1.5030180 -1.5030180 -1.5015445 -1.5015445 -1.5015214 :EIG00036: -1.5015214 -1.4988929 -1.4988929 -1.4969473 -1.4969473 :EIG00041: -0.2129575 -0.2129575 -0.1565689 -0.1565689 0.3191883 :EIG00046: 0.3191883 0.3910114 0.3910114 0.4675253 0.4675253 :EIG00051: 0.4914293 0.4914293 0.5162986 0.5162986 0.5244610 :EIG00056: 0.5244610 0.5374714 0.5374714 0.6844077 0.6844077 :EIG00061: 0.8301536 0.8301536 0.9091873 0.9091873 0.9289675 :EIG00066: 0.9289675 1.1014088 1.1014088 1.1587712 1.1587712 :EIG00071: 1.2316489 1.2316489 1.3227690 1.3227690 1.4803458 :EIG00076: 1.4803458 1.5114415 1.5114415 1.6071951 1.6071951 :EIG00081: 1.6334638 1.6334638 1.6523555 1.6523555 1.6719957 :EIG00086: 1.6719957 1.7237356 1.7237356 1.7443734 1.7443734 :EIG00091: 1.8598314 1.8598314 1.9117348 1.9117348 1.9744826 :EIG00096: 1.9744826 1.9821074 1.9821074 ******************************************************** :KPT : NUMBER OF K-POINTS: 23