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 0.25000 -0.25000 22 :RKM : MATRIX SIZE 350LOs: 30 RKM= 8.50 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3899856 -0.7679733 -0.6463421 -0.5777799 -0.4805541 :EIG00006: -0.3523478 0.3996251 0.4107517 0.4335407 0.4960758 :EIG00011: 0.5698647 0.5814948 0.8560346 0.8597963 0.8841804 :EIG00016: 0.8881942 0.9176927 0.9320695 0.9569576 1.0974187 :EIG00021: 1.1430411 1.2760379 1.3894517 1.4827285 1.5126508 :EIG00026: 1.6547584 1.9641789 2.0435745 2.2079616 2.2174519 :EIG00031: 2.2950635 2.4439087 2.5575304 2.6154699 2.6407450 :EIG00036: 2.8403639 2.9902305 3.0535447 3.0676580 3.2399147 :EIG00041: 3.2876885 3.3494300 3.4306900 3.4919178 3.5423556 :EIG00046: 3.5718397 3.6924282 3.7778980 3.7918680 3.9237428 :EIG00051: 3.9488598 3.9864167 4.1112088 4.1248424 4.3006838 :EIG00056: 4.3562002 4.3950083 4.5025586 4.5853234 4.6156398 :EIG00061: 4.6959616 4.7878688 4.8554425 4.8816252 ******************************************************** :KPT : NUMBER OF K-POINTS: 1