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 0.00000 44 :RKM : MATRIX SIZE 342LOs: 30 RKM= 8.44 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3933902 -0.7113150 -0.5888672 -0.5630720 -0.5039770 :EIG00006: -0.4369039 0.3592775 0.3650022 0.3962979 0.4851888 :EIG00011: 0.5592154 0.5830347 0.8700573 0.8858102 0.8904716 :EIG00016: 0.9235972 0.9308289 0.9347637 0.9431376 1.0941496 :EIG00021: 1.1058898 1.1429809 1.4949947 1.5297970 1.5460138 :EIG00026: 1.7119466 1.8187332 1.8773326 2.3118757 2.3930753 :EIG00031: 2.4560996 2.5167290 2.5882833 2.6082242 2.7437789 :EIG00036: 2.9174606 2.9458611 3.1903206 3.2189659 3.3469919 :EIG00041: 3.3519345 3.4408777 3.4677437 3.4790518 3.5289491 :EIG00046: 3.5645957 3.5690752 3.6409532 3.7090232 3.7227660 :EIG00051: 3.8419171 3.8957620 3.9989598 4.0637156 4.1341584 :EIG00056: 4.2428555 4.2693979 4.3416492 4.4509468 4.4797962 :EIG00061: 4.5383553 4.5968177 4.6329897 4.7511027 4.7524371 :EIG00066: 4.7981951 4.8313957 ******************************************************** :KPT : NUMBER OF K-POINTS: 1