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= 0.08333 0.08333 -0.08333 2 :RKM : MATRIX SIZE 349LOs: 30 RKM= 8.46 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3954192 -0.6424910 -0.5562912 -0.5562912 -0.5242954 :EIG00006: -0.5075253 0.3327610 0.3327610 0.3408721 0.5531973 :EIG00011: 0.5585347 0.5585347 0.8870579 0.8870579 0.8891945 :EIG00016: 0.9295428 0.9511800 0.9545324 0.9545324 1.0522704 :EIG00021: 1.0672512 1.0672512 1.5665239 1.5798110 1.5798110 :EIG00026: 1.7599665 1.8039551 1.8039551 2.2263686 2.4917165 :EIG00031: 2.4917165 2.5550732 2.5550732 2.5853694 2.9707585 :EIG00036: 3.0232220 3.0232220 3.1689064 3.2143053 3.2143053 :EIG00041: 3.2850055 3.5409501 3.5409501 3.5843765 3.5843765 :EIG00046: 3.6679772 3.6853403 3.6853403 3.7071323 3.7880298 :EIG00051: 3.7880298 3.8278078 3.9138752 4.0105641 4.0105641 :EIG00056: 4.0490739 4.1569806 4.1569806 4.2365920 4.3269665 :EIG00061: 4.3667625 4.3667625 4.4741270 4.4741270 4.4765012 :EIG00066: 4.7549439 ******************************************************** :KPT : NUMBER OF K-POINTS: 1