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 0.16667 -0.16667 42 :RKM : MATRIX SIZE 348LOs: 30 RKM= 8.49 WEIGHT=12.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3877013 -0.7937479 -0.6697089 -0.5924550 -0.4832366 :EIG00006: -0.2954549 0.3174891 0.4999317 0.5183488 0.5355039 :EIG00011: 0.5551580 0.5795455 0.8502486 0.8509785 0.8647212 :EIG00016: 0.8907305 0.9073987 0.9227057 0.9885772 1.0404598 :EIG00021: 1.2144417 1.2456811 1.3902905 1.4444943 1.7021001 :EIG00026: 1.7388723 1.7944351 1.9605775 2.0463485 2.0492290 :EIG00031: 2.3836585 2.4100714 2.5369035 2.5963665 2.6289457 :EIG00036: 2.8822013 2.9007433 3.1209087 3.2031992 3.2173249 :EIG00041: 3.2710710 3.3362753 3.3427525 3.3827852 3.4001822 :EIG00046: 3.5941230 3.7642281 3.9337600 3.9687509 4.0088197 :EIG00051: 4.0208858 4.0883835 4.1022294 4.2107714 4.3045546 :EIG00056: 4.3905519 4.5274917 4.5401015 4.5835515 4.6594761 :EIG00061: 4.6791171 4.7664418 4.8100078 4.8373144 ******************************************************** :KPT : NUMBER OF K-POINTS: 1