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)= -3.4075 E(BOTTOM)= -3.500 E(TOP)= -3.315 LOCAL ORBITAL :E2_0001: E( 2)= 0.4050 E(BOTTOM)= 0.040 E(TOP)= 0.770 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)= -0.8750 E(BOTTOM)= -1.610 E(TOP)= -0.140 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 130LOs: 17 RKM= 6.55 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -3.3892235 -3.3892235 -3.3892235 -0.9607432 0.2882694 :EIG00006: 0.2882694 0.2882694 0.3914298 0.3914298 0.3914298 :EIG00011: 0.4338177 0.4338177 0.5642021 1.6364822 1.8442298 :EIG00016: 1.8442298 1.8442298 ******************************************************** :KPT : NUMBER OF K-POINTS: 47