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= 0.41667 0.25000 -0.08333 45 :RKM : MATRIX SIZE 342LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3919970 -0.7380288 -0.6171456 -0.5670393 -0.4900528 :EIG00006: -0.4015283 0.3778668 0.3830172 0.4363842 0.4645172 :EIG00011: 0.5503135 0.5914008 0.8635307 0.8806110 0.8901241 :EIG00016: 0.9061569 0.9232809 0.9306702 0.9450553 1.0988266 :EIG00021: 1.1243540 1.2017424 1.4486790 1.5135519 1.5265053 :EIG00026: 1.6784013 1.8480982 1.9521604 2.2534278 2.3574332 :EIG00031: 2.4277333 2.5075105 2.5751496 2.6272134 2.6899395 :EIG00036: 2.8516665 2.9317427 3.0973518 3.1716735 3.2845722 :EIG00041: 3.3702610 3.4456641 3.4569577 3.4734205 3.5165109 :EIG00046: 3.5821306 3.5974243 3.6762039 3.7070299 3.7530993 :EIG00051: 3.8273912 3.9615004 4.0719768 4.1519473 4.1951666 :EIG00056: 4.3181111 4.3647725 4.3985943 4.4993315 4.5251537 :EIG00061: 4.6559505 4.7191380 4.7335637 4.7666875 4.8537366 :EIG00066: 4.9121060 4.9839684 ******************************************************** :KPT : NUMBER OF K-POINTS: 1