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= 0.75000 0.25000 -0.08333 57 :RKM : MATRIX SIZE 346LOs: 30 RKM= 8.50 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3886905 -0.7804109 -0.6661198 -0.5885054 -0.4714162 :EIG00006: -0.3252268 0.3520588 0.4550858 0.4647937 0.5248689 :EIG00011: 0.5646241 0.5964816 0.8499083 0.8605909 0.8745224 :EIG00016: 0.8947304 0.9067043 0.9182314 0.9694915 1.0662803 :EIG00021: 1.1827102 1.3062302 1.3590167 1.4620158 1.5369006 :EIG00026: 1.7565932 1.9053488 1.9847016 2.0851027 2.1244791 :EIG00031: 2.3348768 2.4618196 2.5006812 2.5978663 2.6825022 :EIG00036: 2.8869865 2.9553099 3.0640173 3.1364623 3.1805721 :EIG00041: 3.2663666 3.3322974 3.3861807 3.4542016 3.5157135 :EIG00046: 3.6610699 3.7215910 3.7723973 3.8568682 3.9713537 :EIG00051: 4.0175059 4.0300669 4.1137517 4.2316696 4.2560380 :EIG00056: 4.3037230 4.4124931 4.4404248 4.5649248 4.6835318 :EIG00061: 4.8016626 4.8387936 4.8733433 4.9719264 ******************************************************** :KPT : NUMBER OF K-POINTS: 1