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 0.33333 0.00000 71 :RKM : MATRIX SIZE 338LOs: 30 RKM= 8.43 WEIGHT=12.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3876630 -0.7800119 -0.7009250 -0.5972764 -0.4380947 :EIG00006: -0.3196032 0.3369733 0.4693233 0.5272561 0.5449137 :EIG00011: 0.5525580 0.5684128 0.8454987 0.8599709 0.8665247 :EIG00016: 0.8908018 0.9056015 0.9120506 0.9875758 1.0711986 :EIG00021: 1.1965488 1.2596562 1.3487533 1.4507369 1.7128717 :EIG00026: 1.7962363 1.7974770 1.8991745 2.0800827 2.1611251 :EIG00031: 2.2963712 2.4427432 2.4570576 2.5276718 2.5393079 :EIG00036: 2.8331251 3.0385912 3.2010714 3.2120693 3.2602183 :EIG00041: 3.2612992 3.2826493 3.3922319 3.4875546 3.4978269 :EIG00046: 3.5817286 3.6520421 3.8046710 3.8682106 3.9884912 :EIG00051: 4.0234402 4.1103833 4.1836230 4.2352709 4.2877372 :EIG00056: 4.4431797 4.4707218 4.4727775 4.6267333 4.6449522 :EIG00061: 4.6648595 4.6868260 4.8580317 4.9672221 4.9941109 ******************************************************** :KPT : NUMBER OF K-POINTS: 1