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 0.41667 -0.08333 66 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3884488 -0.7634075 -0.7099857 -0.5870292 -0.4163325 :EIG00006: -0.3566775 0.3834400 0.4365677 0.4681134 0.5296097 :EIG00011: 0.5396540 0.6040982 0.8425204 0.8668304 0.8768218 :EIG00016: 0.8880527 0.9067190 0.9084657 0.9731092 1.0924168 :EIG00021: 1.1651144 1.3090486 1.3384334 1.4657527 1.5788629 :EIG00026: 1.7267141 1.9027918 2.0357018 2.1320110 2.2267108 :EIG00031: 2.2443975 2.3958515 2.4323607 2.4977002 2.6567237 :EIG00036: 2.9164074 2.9305472 3.0673953 3.1561967 3.2425113 :EIG00041: 3.3024733 3.3476843 3.3838195 3.4813202 3.6445530 :EIG00046: 3.6642935 3.7115813 3.7278640 3.8262922 3.9662028 :EIG00051: 4.0057352 4.0321052 4.1147890 4.1308887 4.3462466 :EIG00056: 4.3847852 4.4068057 4.4372513 4.5494844 4.6957950 :EIG00061: 4.7350768 4.7833951 4.8741771 4.9687630 4.9992007 ******************************************************** :KPT : NUMBER OF K-POINTS: 1