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 0.33333 0.00000 68 :RKM : MATRIX SIZE 339LOs: 30 RKM= 8.44 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3880754 -0.7767834 -0.6956102 -0.5932987 -0.4398865 :EIG00006: -0.3289802 0.3498634 0.4584536 0.4933576 0.5409668 :EIG00011: 0.5480262 0.5909978 0.8461716 0.8622943 0.8695632 :EIG00016: 0.8921871 0.9058817 0.9109613 0.9791148 1.0763330 :EIG00021: 1.1844046 1.2851837 1.3482590 1.4568955 1.6094282 :EIG00026: 1.7756643 1.8893443 1.9315092 2.0903814 2.1687110 :EIG00031: 2.2927970 2.4466561 2.4471296 2.5309070 2.6024008 :EIG00036: 2.8654302 2.9987098 3.1705489 3.1862297 3.1973819 :EIG00041: 3.2816109 3.2897307 3.3917718 3.4966197 3.5273407 :EIG00046: 3.5851828 3.7279888 3.7641573 3.8993433 3.9801550 :EIG00051: 3.9965245 4.0260187 4.2077440 4.2111284 4.3178267 :EIG00056: 4.3496373 4.3965104 4.4755240 4.5124937 4.7393012 :EIG00061: 4.7557880 4.7676992 4.8919970 4.9259481 4.9880030 ******************************************************** :KPT : NUMBER OF K-POINTS: 1