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= 0.91667 0.58333 -0.41667 54 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3895739 -0.7593739 -0.6852769 -0.5753784 -0.4367295 :EIG00006: -0.3711754 0.4135511 0.4227828 0.4311284 0.5023428 :EIG00011: 0.5286321 0.6118118 0.8479184 0.8720473 0.8841442 :EIG00016: 0.8871343 0.9097717 0.9162700 0.9608806 1.0908198 :EIG00021: 1.1523877 1.2989852 1.3732792 1.4880698 1.5249497 :EIG00026: 1.6849693 1.8761988 2.1177782 2.1784048 2.2577289 :EIG00031: 2.2730430 2.4093764 2.4519979 2.5615707 2.7786409 :EIG00036: 2.8530554 2.8934411 3.0543523 3.0946252 3.1823797 :EIG00041: 3.2930660 3.3654270 3.4594156 3.5007363 3.6242110 :EIG00046: 3.6493871 3.6819487 3.7465404 3.7714302 3.9090187 :EIG00051: 3.9236137 4.0837560 4.1287908 4.1802416 4.2724138 :EIG00056: 4.3074859 4.4066137 4.4722666 4.5302569 4.6016827 :EIG00061: 4.6976435 4.7611696 4.8132277 4.9664908 ******************************************************** :KPT : NUMBER OF K-POINTS: 1