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 0.50000 -0.33333 60 :RKM : MATRIX SIZE 348LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3886859 -0.7512360 -0.7224228 -0.5809077 -0.3938990 :EIG00006: -0.3840822 0.4052259 0.4295811 0.4560000 0.5197217 :EIG00011: 0.5247955 0.6148309 0.8413978 0.8728327 0.8789914 :EIG00016: 0.8881177 0.8960779 0.9135179 0.9702637 1.0868154 :EIG00021: 1.1670101 1.3140878 1.3449765 1.4724161 1.5699764 :EIG00026: 1.7207969 1.8545595 2.1189698 2.1696683 2.1994712 :EIG00031: 2.2879835 2.3439813 2.3901424 2.5468218 2.7068338 :EIG00036: 2.8439073 2.9285388 3.0425049 3.1942102 3.2191435 :EIG00041: 3.2517060 3.3442484 3.4665546 3.4782999 3.5959189 :EIG00046: 3.6931365 3.7711660 3.7784314 3.8237978 3.8756306 :EIG00051: 4.0215007 4.0537155 4.1026260 4.1135476 4.3083369 :EIG00056: 4.3392524 4.4230445 4.4637865 4.5741732 4.6677012 :EIG00061: 4.6866892 4.7367563 4.7968338 ******************************************************** :KPT : NUMBER OF K-POINTS: 1