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= 0.50000 0.50000 -0.50000 7 :RKM : MATRIX SIZE 362LOs: 30 RKM= 8.50 WEIGHT= 4.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3896998 -0.7858886 -0.5744007 -0.5716193 -0.5716193 :EIG00006: -0.3198020 0.3924386 0.3924386 0.4990759 0.5137638 :EIG00011: 0.5488913 0.5488913 0.8297540 0.8671624 0.8671624 :EIG00016: 0.8907687 0.9459460 0.9459460 0.9630454 1.1160445 :EIG00021: 1.1160445 1.2875805 1.3360132 1.4894496 1.4894496 :EIG00026: 1.6332549 2.1237190 2.1237190 2.2219040 2.2810642 :EIG00031: 2.2810642 2.4146500 2.4146500 2.6066585 2.6066585 :EIG00036: 2.6242445 2.8837067 3.2098952 3.2348939 3.2348939 :EIG00041: 3.3447187 3.3447187 3.4460751 3.4621486 3.4621486 :EIG00046: 3.4660020 3.5701934 3.6048075 3.9274967 3.9274967 :EIG00051: 4.1601556 4.2337815 4.2337815 4.2617361 4.2897765 :EIG00056: 4.2897765 4.3660468 4.4685996 4.6719492 4.6719492 :EIG00061: 4.7342111 4.7342111 4.9045130 4.9520198 4.9520198 ******************************************************** :KPT : NUMBER OF K-POINTS: 1