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 0.16667 -0.16667 30 :RKM : MATRIX SIZE 346LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3894784 -0.7749857 -0.6454446 -0.5839673 -0.4870226 :EIG00006: -0.3366658 0.3685474 0.4359255 0.4417815 0.5037584 :EIG00011: 0.5804447 0.5914955 0.8528690 0.8634744 0.8814611 :EIG00016: 0.8970102 0.9074894 0.9246548 0.9599659 1.0707198 :EIG00021: 1.1708584 1.3158379 1.3577846 1.4698958 1.5068311 :EIG00026: 1.7283703 1.9224376 1.9785544 2.1416193 2.1439404 :EIG00031: 2.3418726 2.4999272 2.5294235 2.6530136 2.6858422 :EIG00036: 2.8843744 2.9629774 3.0079141 3.0851059 3.2424329 :EIG00041: 3.2497848 3.3854108 3.4061499 3.4102871 3.5148662 :EIG00046: 3.6572637 3.6950038 3.7540080 3.9063579 3.9241805 :EIG00051: 3.9727486 4.0400572 4.0598333 4.0694892 4.2458037 :EIG00056: 4.2887794 4.4397683 4.5168743 4.5698060 4.6757299 :EIG00061: 4.6860674 4.8370182 4.9030811 4.9257499 ******************************************************** :KPT : NUMBER OF K-POINTS: 1