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 0.00000 0.00000 43 :RKM : MATRIX SIZE 332LOs: 30 RKM= 8.23 WEIGHT= 3.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3876667 -0.8075025 -0.5960695 -0.5960695 -0.5618560 :EIG00006: -0.2716305 0.2939429 0.5221867 0.5221867 0.5600391 :EIG00011: 0.5601179 0.5601179 0.8370619 0.8618867 0.8618867 :EIG00016: 0.8928191 0.9261330 0.9261330 0.9918442 1.0011855 :EIG00021: 1.2291152 1.2292718 1.4413694 1.4413694 1.6572842 :EIG00026: 1.7167905 1.8959103 1.8959103 1.9247546 2.0138718 :EIG00031: 2.4994565 2.4994565 2.5494010 2.6660952 2.6660952 :EIG00036: 2.9133156 2.9133156 3.0282518 3.0542857 3.2040454 :EIG00041: 3.2200379 3.3004071 3.3177502 3.3308493 3.4342395 :EIG00046: 3.6356986 3.8480568 3.8480568 3.9643510 3.9643510 :EIG00051: 4.0870488 4.1074209 4.1560215 4.3598389 4.3598389 :EIG00056: 4.4112832 4.4112832 4.5066428 4.6911116 4.7084388 :EIG00061: 4.7084388 4.8150369 4.8409949 4.8409949 4.8633144 :EIG00066: 4.9643441 ******************************************************** :KPT : NUMBER OF K-POINTS: 1