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= 0.41667 0.08333 -0.08333 20 :RKM : MATRIX SIZE 338LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3926458 -0.7286593 -0.5859790 -0.5709292 -0.5152526 :EIG00006: -0.4089295 0.3761336 0.3773964 0.4138376 0.4492147 :EIG00011: 0.5816785 0.5820930 0.8639112 0.8868675 0.8896584 :EIG00016: 0.9162248 0.9266241 0.9368447 0.9394316 1.0910655 :EIG00021: 1.1198038 1.1762499 1.4717577 1.5180484 1.5226798 :EIG00026: 1.7248438 1.8455173 1.8625736 2.2821105 2.3664401 :EIG00031: 2.4778112 2.5326982 2.5388313 2.6044004 2.7689636 :EIG00036: 2.8684167 2.9308593 3.1680101 3.2114709 3.3493581 :EIG00041: 3.3582206 3.3997971 3.4414178 3.4843904 3.4898294 :EIG00046: 3.5028606 3.6020308 3.6394342 3.7474583 3.8400387 :EIG00051: 3.8649157 3.8914675 3.9667883 4.0789649 4.1672611 :EIG00056: 4.2822468 4.3433680 4.3538407 4.4812498 4.5168432 :EIG00061: 4.5267420 4.5959844 4.6899263 4.8103876 4.8336975 :EIG00066: 4.8485364 4.9387528 ******************************************************** :KPT : NUMBER OF K-POINTS: 1