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 0.08333 -0.08333 36 :RKM : MATRIX SIZE 350LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3888317 -0.7896391 -0.6198120 -0.5896993 -0.5242696 :EIG00006: -0.3069288 0.3320335 0.4640373 0.4655515 0.5216001 :EIG00011: 0.5857366 0.5901755 0.8446037 0.8673794 0.8722550 :EIG00016: 0.8963634 0.9168062 0.9234400 0.9672315 1.0371364 :EIG00021: 1.1979335 1.3042941 1.3945565 1.4573805 1.4891245 :EIG00026: 1.8105848 1.8954749 1.9193588 2.0364157 2.0799105 :EIG00031: 2.4383489 2.5082889 2.5367190 2.6929078 2.7008229 :EIG00036: 2.8526068 2.9753391 2.9782797 3.1054323 3.1923604 :EIG00041: 3.2738478 3.2888420 3.3643549 3.3882306 3.5131451 :EIG00046: 3.6765221 3.7887245 3.8078378 3.8852068 3.8910186 :EIG00051: 3.9509204 4.0110600 4.1264915 4.1371848 4.2684861 :EIG00056: 4.3796514 4.4973714 4.5453840 4.5802770 4.6575601 :EIG00061: 4.7155749 4.7815425 4.8774682 4.9636158 4.9895863 ******************************************************** :KPT : NUMBER OF K-POINTS: 1