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 0.66667 -0.66667 27 :RKM : MATRIX SIZE 347LOs: 30 RKM= 8.48 WEIGHT=12.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3922701 -0.7308305 -0.6236220 -0.5624187 -0.4776487 :EIG00006: -0.4174957 0.3712011 0.3797469 0.4296331 0.4885909 :EIG00011: 0.5264422 0.5954407 0.8650205 0.8812733 0.8908958 :EIG00016: 0.9131358 0.9218993 0.9271823 0.9451442 1.0937442 :EIG00021: 1.1258842 1.1915991 1.4556559 1.5172536 1.5372993 :EIG00026: 1.6841240 1.8190378 1.9633487 2.2479870 2.3806550 :EIG00031: 2.4547513 2.4969837 2.6043055 2.6073142 2.6703140 :EIG00036: 2.8736244 2.9257065 3.0733978 3.2282860 3.2741941 :EIG00041: 3.3367961 3.4551051 3.4885892 3.5187815 3.5333903 :EIG00046: 3.5785948 3.5984974 3.6099983 3.7289495 3.7589241 :EIG00051: 3.7641048 3.9676072 4.0371790 4.1749297 4.2178079 :EIG00056: 4.2603140 4.3130696 4.4506460 4.5335670 4.5463576 :EIG00061: 4.6605095 4.6705909 4.6754730 4.7321520 4.8274154 :EIG00066: 4.8960030 4.9207170 4.9622592 ******************************************************** :KPT : NUMBER OF K-POINTS: 1