ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM U :e__0001: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0001: E( 0)= 0.3000 APW+lo :E0_0001: E( 0)= -2.4430 E(BOTTOM)= -2.960 E(TOP)= -1.926 LOCAL ORBITAL :E1_0001: E( 1)= -0.4390 E(BOTTOM)= -1.450 E(TOP)= 0.572 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.4550 E(BOTTOM)= 0.455 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.4350 E(BOTTOM)= 0.435 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM O :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.6020 E(BOTTOM)= -1.108 E(TOP)= -0.096 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.50000 0.16667 0.00000 49 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.48 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3914892 -0.7483653 -0.6108853 -0.5741584 -0.5026136 :EIG00006: -0.3813842 0.3949987 0.3952029 0.4230915 0.4460697 :EIG00011: 0.5748234 0.5961433 0.8580157 0.8827452 0.8876348 :EIG00016: 0.9117636 0.9196259 0.9235782 0.9450846 1.0869130 :EIG00021: 1.1381155 1.2303867 1.4279334 1.5032210 1.5055824 :EIG00026: 1.7290947 1.8426014 1.9192856 2.2218262 2.3238460 :EIG00031: 2.4213251 2.4934463 2.5918215 2.6340088 2.7453525 :EIG00036: 2.8394915 2.9305240 3.1006200 3.1095050 3.3023235 :EIG00041: 3.3579587 3.4031729 3.4099005 3.5046362 3.5202926 :EIG00046: 3.5579174 3.5679801 3.7051066 3.7544654 3.8204426 :EIG00051: 3.9164550 4.0020698 4.0035956 4.1247449 4.1543635 :EIG00056: 4.2557829 4.3540938 4.4793009 4.4998327 4.5345963 :EIG00061: 4.6734828 4.7082649 4.7822323 4.7939016 4.9159670 ******************************************************** :KPT : NUMBER OF K-POINTS: 1