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= 0.66667 0.00000 0.00000 35 :RKM : MATRIX SIZE 353LOs: 30 RKM= 8.50 WEIGHT= 6.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3897208 -0.7801660 -0.5864213 -0.5864213 -0.5499299 :EIG00006: -0.3237272 0.3503994 0.4417263 0.4417263 0.4945941 :EIG00011: 0.5949199 0.5949199 0.8459168 0.8771867 0.8771867 :EIG00016: 0.8987968 0.9235121 0.9235121 0.9560935 1.0432454 :EIG00021: 1.1834483 1.3476090 1.3487162 1.4686066 1.4686066 :EIG00026: 1.8296757 1.8712487 1.8712487 2.1135381 2.1257523 :EIG00031: 2.5041646 2.5041646 2.5381393 2.7414739 2.7529145 :EIG00036: 2.7529145 3.0095774 3.0349207 3.0349207 3.2095684 :EIG00041: 3.2545055 3.3327693 3.3718081 3.3898272 3.5663469 :EIG00046: 3.7166524 3.7166524 3.8297562 3.8509271 3.8509271 :EIG00051: 3.8954150 3.9004897 4.0660894 4.0660894 4.2640792 :EIG00056: 4.3509589 4.5033652 4.5033652 4.6504921 4.6624002 :EIG00061: 4.6624002 4.6850608 4.8236929 ******************************************************** :KPT : NUMBER OF K-POINTS: 1