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= 0.58333 0.41667 -0.25000 47 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3895689 -0.7729581 -0.6568552 -0.5748336 -0.4783174 :EIG00006: -0.3434552 0.4059260 0.4097817 0.4482324 0.5096099 :EIG00011: 0.5432414 0.5898754 0.8411604 0.8654971 0.8748299 :EIG00016: 0.8892898 0.9251844 0.9307081 0.9622416 1.1022160 :EIG00021: 1.1384597 1.2827560 1.3837093 1.4846601 1.5017898 :EIG00026: 1.6430649 2.0050286 2.1317883 2.1879274 2.2524578 :EIG00031: 2.2643526 2.3639021 2.4678715 2.5641368 2.6968411 :EIG00036: 2.8040119 2.9885317 3.0148398 3.0858256 3.2010629 :EIG00041: 3.3393743 3.3876826 3.3992073 3.5113279 3.5397701 :EIG00046: 3.6320969 3.6813758 3.7175009 3.8117398 3.8831960 :EIG00051: 3.9757442 4.0924217 4.1604194 4.2278269 4.3164484 :EIG00056: 4.3674407 4.4028662 4.5351900 4.5546459 4.5852643 :EIG00061: 4.7252646 4.7973726 4.8734693 4.8953471 4.9560825 ******************************************************** :KPT : NUMBER OF K-POINTS: 1