ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Fe1 :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E1_0001: E( 1)= 0.3000 APW+lo :E1_0001: E( 1)= -3.3900 E(BOTTOM)= -3.495 E(TOP)= -3.285 LOCAL ORBITAL :E2_0001: E( 2)= 0.4350 E(BOTTOM)= 0.060 E(TOP)= 0.810 APW+lo :E0_0001: E( 0)= 0.3000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM O 1 :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.6750 E(BOTTOM)= -1.780 E(TOP)= 0.430 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 348LOs: 17 RKM= 8.70 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.3656585 -3.3656585 -3.3656585 -0.8485074 0.3936623 :EIG00006: 0.3936623 0.3936623 0.4297951 0.4297951 0.4297951 :EIG00011: 0.4644884 0.4644884 0.6617381 1.7421888 1.9246612 :EIG00016: 1.9246612 1.9246612 ******************************************************** :KPT : NUMBER OF K-POINTS: 47