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 0.33333 -0.16667 51 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.48 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3891992 -0.7700009 -0.6753855 -0.5813897 -0.4544218 :EIG00006: -0.3482240 0.3920586 0.4301795 0.4396050 0.5136428 :EIG00011: 0.5540729 0.5989583 0.8477581 0.8622254 0.8838750 :EIG00016: 0.8858843 0.9115711 0.9210181 0.9641938 1.0907768 :EIG00021: 1.1564314 1.3027251 1.3642794 1.4742214 1.5252969 :EIG00026: 1.6865444 1.9473829 2.0729513 2.1493886 2.1976768 :EIG00031: 2.2619451 2.4141447 2.5049698 2.5494286 2.7091447 :EIG00036: 2.9022518 2.9578564 2.9947004 3.1018036 3.1983535 :EIG00041: 3.3107668 3.3538004 3.3949410 3.4793699 3.6348457 :EIG00046: 3.6382780 3.6803527 3.7699503 3.8120968 3.9154655 :EIG00051: 3.9822509 4.0415200 4.1154847 4.1772243 4.2485785 :EIG00056: 4.3664667 4.4283821 4.4520228 4.5628579 4.6282648 :EIG00061: 4.7714661 4.8058158 4.8620833 4.9606533 4.9861367 ******************************************************** :KPT : NUMBER OF K-POINTS: 1