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= 0.75000 0.41667 -0.25000 52 :RKM : MATRIX SIZE 341LOs: 30 RKM= 8.50 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3886834 -0.7695708 -0.6954656 -0.5818418 -0.4385767 :EIG00006: -0.3461946 0.4000775 0.4313795 0.4470481 0.5266853 :EIG00011: 0.5454350 0.5984661 0.8372295 0.8650178 0.8785737 :EIG00016: 0.8843035 0.9119777 0.9199244 0.9708610 1.0944788 :EIG00021: 1.1583158 1.2944022 1.3660722 1.4694369 1.5380707 :EIG00026: 1.6829865 2.0328764 2.0442390 2.1534447 2.1992053 :EIG00031: 2.2567565 2.3315097 2.4369592 2.5344132 2.6856875 :EIG00036: 2.9128987 2.9325582 3.0311747 3.0684320 3.1956407 :EIG00041: 3.2898790 3.4042670 3.4218829 3.5224209 3.6308644 :EIG00046: 3.6606820 3.6958763 3.7764816 3.8234002 3.9163029 :EIG00051: 3.9599179 4.0517568 4.1135937 4.1798994 4.3179245 :EIG00056: 4.4237204 4.4520742 4.4913791 4.5696531 4.6428251 :EIG00061: 4.7388744 4.7852156 4.8570225 4.9379962 4.9410771 :EIG00066: 4.9951350 ******************************************************** :KPT : NUMBER OF K-POINTS: 1