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= 1.00000 0.66667 -0.50000 55 :RKM : MATRIX SIZE 344LOs: 30 RKM= 8.46 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3907373 -0.7511302 -0.6553241 -0.5704809 -0.4580389 :EIG00006: -0.3867865 0.4006403 0.4010602 0.4430574 0.4699547 :EIG00011: 0.5367047 0.6075126 0.8562560 0.8778719 0.8882629 :EIG00016: 0.9008051 0.9117372 0.9178030 0.9516845 1.0928211 :EIG00021: 1.1410778 1.2598643 1.4051755 1.5076533 1.5122134 :EIG00026: 1.6922990 1.8355669 2.0373123 2.1968347 2.3249040 :EIG00031: 2.3446541 2.4672639 2.5449858 2.5847846 2.7613293 :EIG00036: 2.8766231 2.8870632 3.0318029 3.1124829 3.2087477 :EIG00041: 3.3145291 3.4336207 3.4930883 3.4966075 3.5933421 :EIG00046: 3.6015623 3.6447526 3.6494568 3.6901422 3.8611125 :EIG00051: 3.9171001 4.0595870 4.0744111 4.1775216 4.2109131 :EIG00056: 4.3227793 4.4095088 4.4142721 4.5061083 4.6078615 :EIG00061: 4.6763016 4.7275913 4.7913086 4.8697207 4.9465351 ******************************************************** :KPT : NUMBER OF K-POINTS: 1