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= 0.33333 0.16667 -0.16667 10 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3930163 -0.7215629 -0.5841128 -0.5661967 -0.5148272 :EIG00006: -0.4198484 0.3623941 0.3648767 0.4109583 0.4923403 :EIG00011: 0.5627340 0.5670848 0.8704225 0.8819493 0.8900555 :EIG00016: 0.9112887 0.9316182 0.9399117 0.9433891 1.1035529 :EIG00021: 1.1063719 1.1559944 1.4820056 1.5310977 1.5397441 :EIG00026: 1.6694072 1.8648356 1.8931671 2.3314554 2.3487003 :EIG00031: 2.4627120 2.5199047 2.5552524 2.6203691 2.7493816 :EIG00036: 2.8593547 2.9295339 3.1925127 3.2030218 3.3403133 :EIG00041: 3.3960845 3.4256172 3.4587407 3.4886225 3.4959586 :EIG00046: 3.5498232 3.6126643 3.6155596 3.7045659 3.7189294 :EIG00051: 3.8351837 3.8573385 4.0642077 4.1206176 4.1366369 :EIG00056: 4.2752418 4.3234191 4.4066588 4.4428264 4.4925055 :EIG00061: 4.5693373 4.6468687 4.7166373 4.7536071 4.7607782 :EIG00066: 4.7960743 4.8832580 ******************************************************** :KPT : NUMBER OF K-POINTS: 1