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 0.33333 -0.33333 39 :RKM : MATRIX SIZE 339LOs: 30 RKM= 8.41 WEIGHT=12.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3881729 -0.7540152 -0.7309409 -0.5831222 -0.4129970 :EIG00006: -0.3534640 0.3768094 0.4555399 0.4804124 0.5114189 :EIG00011: 0.5394319 0.6103886 0.8390360 0.8714142 0.8735013 :EIG00016: 0.8893646 0.8902726 0.9173168 0.9778714 1.0753223 :EIG00021: 1.1855275 1.2936391 1.3493766 1.4602861 1.6193573 :EIG00026: 1.7349735 1.8357474 2.1221978 2.1321764 2.1477175 :EIG00031: 2.2497305 2.3452251 2.4089304 2.6010873 2.6505988 :EIG00036: 2.8132034 2.8882972 3.1388738 3.1802875 3.1949740 :EIG00041: 3.2573087 3.4151791 3.4555406 3.4875110 3.5494404 :EIG00046: 3.6754158 3.7091548 3.8544589 3.8548517 3.9161935 :EIG00051: 3.9391017 4.0760570 4.1361103 4.1962562 4.3013105 :EIG00056: 4.3314930 4.4960809 4.5108144 4.5974528 4.6243301 :EIG00061: 4.6310603 4.7145678 4.7483664 4.9680437 ******************************************************** :KPT : NUMBER OF K-POINTS: 1