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= 0.66667 0.50000 -0.33333 48 :RKM : MATRIX SIZE 340LOs: 30 RKM= 8.44 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3891915 -0.7776103 -0.6622894 -0.5760379 -0.4773439 :EIG00006: -0.3346258 0.4096498 0.4133420 0.4483073 0.5194409 :EIG00011: 0.5453317 0.5868042 0.8329181 0.8668091 0.8714518 :EIG00016: 0.8891755 0.9269017 0.9303427 0.9664846 1.1037662 :EIG00021: 1.1385484 1.2907614 1.3733770 1.4800994 1.4920842 :EIG00026: 1.6547889 2.0902086 2.1049915 2.1926850 2.2177692 :EIG00031: 2.3008543 2.3109639 2.3865945 2.5611397 2.6878758 :EIG00036: 2.8467308 2.9500877 3.0057200 3.0677108 3.1936307 :EIG00041: 3.3219410 3.3978594 3.4720618 3.5098939 3.5603078 :EIG00046: 3.6174062 3.6615985 3.7247665 3.8100419 3.9268189 :EIG00051: 4.0070219 4.0591022 4.2109389 4.2528998 4.3262462 :EIG00056: 4.3739461 4.4120667 4.5255321 4.5502946 4.6311283 :EIG00061: 4.7695765 4.8085597 4.8667361 4.9461540 4.9562331 :EIG00066: 4.9741365 ******************************************************** :KPT : NUMBER OF K-POINTS: 1