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= 0.16667 0.16667 -0.16667 3 :RKM : MATRIX SIZE 350LOs: 30 RKM= 8.50 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3943060 -0.6890937 -0.5594015 -0.5594015 -0.5300006 :EIG00006: -0.4586837 0.3456085 0.3456085 0.3755654 0.5367974 :EIG00011: 0.5542029 0.5542029 0.8816405 0.8816405 0.8894894 :EIG00016: 0.9258967 0.9369420 0.9458799 0.9458799 1.0894320 :EIG00021: 1.0894320 1.1030167 1.5199149 1.5607381 1.5607381 :EIG00026: 1.6968237 1.8427523 1.8427523 2.3210922 2.4257203 :EIG00031: 2.4257203 2.5495443 2.5495443 2.6303464 2.8300777 :EIG00036: 2.9504378 2.9504378 3.1747685 3.2998731 3.2998731 :EIG00041: 3.3388662 3.4964379 3.4964379 3.5120465 3.5120465 :EIG00046: 3.5956392 3.6140672 3.6500836 3.6500836 3.7194834 :EIG00051: 3.8296585 3.8296585 4.0494288 4.0494288 4.0548782 :EIG00056: 4.0944303 4.2978086 4.2978086 4.3445021 4.4328607 :EIG00061: 4.4781700 4.4781700 4.6178163 4.6274068 4.6274068 :EIG00066: 4.7806675 ******************************************************** :KPT : NUMBER OF K-POINTS: 1