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= 0.91667 0.41667 -0.08333 69 :RKM : MATRIX SIZE 342LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3877992 -0.7634038 -0.7244486 -0.5949089 -0.4058232 :EIG00006: -0.3475128 0.3599885 0.4480312 0.5120508 0.5354507 :EIG00011: 0.5497538 0.5839847 0.8415537 0.8661947 0.8698634 :EIG00016: 0.8915485 0.9008055 0.9082234 0.9837880 1.0900296 :EIG00021: 1.1799310 1.2838406 1.3259029 1.4549107 1.6752225 :EIG00026: 1.7608602 1.8811015 1.9194333 2.1210477 2.2085884 :EIG00031: 2.2443108 2.3943976 2.4702097 2.4752057 2.5368193 :EIG00036: 2.8606448 2.9618419 3.1815870 3.2400754 3.2801652 :EIG00041: 3.3022979 3.3482084 3.4151473 3.5135677 3.5481363 :EIG00046: 3.5573341 3.6474934 3.7283710 3.9176552 3.9480688 :EIG00051: 3.9770541 4.0538995 4.1414691 4.2430534 4.3413370 :EIG00056: 4.4076156 4.4514976 4.5153884 4.5546799 4.6446998 :EIG00061: 4.6924647 4.7470493 4.8356762 4.9129591 ******************************************************** :KPT : NUMBER OF K-POINTS: 1