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 0.00000 0.00000 8 :RKM : MATRIX SIZE 357LOs: 30 RKM= 8.49 WEIGHT= 6.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3952838 -0.6496828 -0.5580952 -0.5580952 -0.5134533 :EIG00006: -0.5088752 0.3362530 0.3362530 0.3416939 0.5363484 :EIG00011: 0.5652857 0.5652857 0.8832012 0.8894199 0.8894199 :EIG00016: 0.9298012 0.9438105 0.9555770 0.9555770 1.0560359 :EIG00021: 1.0683256 1.0741016 1.5689811 1.5726593 1.5726593 :EIG00026: 1.7664704 1.8001123 1.8001123 2.2421010 2.4603627 :EIG00031: 2.5235979 2.5577365 2.5577365 2.5593891 2.9634986 :EIG00036: 3.0127145 3.0127145 3.1998074 3.1998074 3.2275975 :EIG00041: 3.2883858 3.5268245 3.5513598 3.5717871 3.5862953 :EIG00046: 3.6073128 3.6073128 3.7317631 3.7317631 3.7987323 :EIG00051: 3.8327299 3.8542612 3.9216857 3.9433349 3.9433349 :EIG00056: 4.1557739 4.1767960 4.1881239 4.1881239 4.3199363 :EIG00061: 4.4199672 4.4199672 4.4569547 4.4569547 4.5244731 :EIG00066: 4.7619664 ******************************************************** :KPT : NUMBER OF K-POINTS: 1