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= 0.91667 0.25000 -0.08333 62 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.48 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3878017 -0.7891923 -0.6772892 -0.5943179 -0.4693837 :EIG00006: -0.3045167 0.3260223 0.4842386 0.5099750 0.5472092 :EIG00011: 0.5521986 0.5792100 0.8491716 0.8540619 0.8661944 :EIG00016: 0.8911224 0.9070302 0.9190217 0.9855265 1.0520341 :EIG00021: 1.2058824 1.2564983 1.3758428 1.4489397 1.6493693 :EIG00026: 1.7884429 1.8253471 1.9253501 2.0582103 2.0937802 :EIG00031: 2.3542767 2.4262075 2.5060257 2.5827845 2.6062714 :EIG00036: 2.8338242 3.0222170 3.1298249 3.1617191 3.2194350 :EIG00041: 3.2520621 3.3148830 3.3577837 3.4504843 3.4579097 :EIG00046: 3.5618156 3.7633031 3.8547257 3.9217094 3.9720738 :EIG00051: 4.0572458 4.1282770 4.1383412 4.1784223 4.3122086 :EIG00056: 4.3583312 4.4817814 4.5072502 4.5899175 4.6505964 :EIG00061: 4.7147479 4.7919023 4.8606855 4.9204534 4.9265528 ******************************************************** :KPT : NUMBER OF K-POINTS: 1