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 -0.41667 24 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.48 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3890924 -0.7738238 -0.6754642 -0.5758109 -0.4632410 :EIG00006: -0.3405638 0.4110677 0.4208088 0.4430027 0.5206924 :EIG00011: 0.5365760 0.5962313 0.8344368 0.8681835 0.8718844 :EIG00016: 0.8883848 0.9207054 0.9275290 0.9671037 1.0963920 :EIG00021: 1.1482867 1.2918047 1.3774342 1.4791975 1.5012486 :EIG00026: 1.6601944 2.0287799 2.1285645 2.1827996 2.2595031 :EIG00031: 2.2633761 2.3273759 2.3504605 2.6271767 2.6445816 :EIG00036: 2.8677480 2.9519313 2.9981854 3.0719655 3.1763723 :EIG00041: 3.2874956 3.4429914 3.4773094 3.4839195 3.5924818 :EIG00046: 3.6206096 3.7169868 3.7241970 3.8079282 3.9278929 :EIG00051: 3.9364515 4.0865621 4.1976006 4.2394998 4.3227977 :EIG00056: 4.3814667 4.4200977 4.4616011 4.5505499 4.6530654 :EIG00061: 4.7816466 4.8087026 4.8335296 4.8927633 4.9570596 :EIG00066: 4.9917098 ******************************************************** :KPT : NUMBER OF K-POINTS: 1