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= 0.83333 0.00000 0.00000 40 :RKM : MATRIX SIZE 352LOs: 30 RKM= 8.43 WEIGHT= 6.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3882184 -0.8006053 -0.5935191 -0.5935191 -0.5587239 :EIG00006: -0.2855241 0.3088639 0.4898493 0.4898493 0.5418044 :EIG00011: 0.5807141 0.5807141 0.8390759 0.8660184 0.8660184 :EIG00016: 0.8941448 0.9246355 0.9246355 0.9780250 1.0129920 :EIG00021: 1.2163937 1.2658658 1.4482544 1.4482544 1.5037412 :EIG00026: 1.8571515 1.8891180 1.8891180 1.9376088 2.0400582 :EIG00031: 2.4995599 2.4995599 2.5455287 2.6899767 2.6899767 :EIG00036: 2.9067367 2.9444296 2.9444296 3.0794595 3.1965882 :EIG00041: 3.2271804 3.3090081 3.3398240 3.3410673 3.5395878 :EIG00046: 3.6032090 3.8477557 3.8477557 3.8875271 3.8875271 :EIG00051: 4.0179637 4.0770893 4.1929881 4.2078218 4.2078218 :EIG00056: 4.5522946 4.5567929 4.5567929 4.5741163 4.6441651 :EIG00061: 4.6441651 4.7768162 4.8196826 4.9156708 4.9156708 ******************************************************** :KPT : NUMBER OF K-POINTS: 1