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 0.50000 -0.16667 67 :RKM : MATRIX SIZE 342LOs: 30 RKM= 8.45 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3881728 -0.7582455 -0.7243210 -0.5886245 -0.4021186 :EIG00006: -0.3613022 0.3853063 0.4341410 0.4778483 0.5307179 :EIG00011: 0.5453388 0.5986495 0.8387816 0.8670253 0.8772105 :EIG00016: 0.8847345 0.9065176 0.9085727 0.9773504 1.0959690 :EIG00021: 1.1667629 1.2971023 1.3376068 1.4618233 1.6070070 :EIG00026: 1.7167604 1.9682821 1.9723094 2.1568523 2.1742450 :EIG00031: 2.2898347 2.3523542 2.4144880 2.4885873 2.6213105 :EIG00036: 2.9069618 2.9151655 3.1026804 3.1806428 3.2425676 :EIG00041: 3.3182118 3.3497334 3.3832511 3.5490515 3.6118243 :EIG00046: 3.6390925 3.7170740 3.7356567 3.8335082 3.9365977 :EIG00051: 4.0416534 4.0491648 4.0776361 4.0920413 4.3905060 :EIG00056: 4.4107803 4.4774104 4.5181948 4.5303035 4.6358928 :EIG00061: 4.7458186 4.7603352 4.8063884 4.9319849 4.9943435 ******************************************************** :KPT : NUMBER OF K-POINTS: 1