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= 0.91667 0.41667 -0.41667 33 :RKM : MATRIX SIZE 341LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3888218 -0.7546232 -0.7157439 -0.5772580 -0.4133751 :EIG00006: -0.3706476 0.4100966 0.4357186 0.4449564 0.5148871 :EIG00011: 0.5223720 0.6155097 0.8399076 0.8729277 0.8805536 :EIG00016: 0.8835354 0.9000412 0.9177682 0.9690680 1.0829110 :EIG00021: 1.1682472 1.3050905 1.3614364 1.4756397 1.5548809 :EIG00026: 1.6960634 1.8803479 2.1542106 2.1695250 2.2294262 :EIG00031: 2.2807398 2.3063909 2.3733012 2.6110923 2.7092568 :EIG00036: 2.8245593 2.8782726 3.1094855 3.1473750 3.1672516 :EIG00041: 3.2452544 3.3617521 3.4841267 3.5228209 3.5553883 :EIG00046: 3.7177375 3.7319358 3.8467663 3.8518757 3.8703419 :EIG00051: 3.9215697 3.9919567 4.1877878 4.2115557 4.2221922 :EIG00056: 4.3759112 4.4426329 4.4974001 4.5646518 4.5817760 :EIG00061: 4.6256404 4.7694944 4.8280263 4.9691222 ******************************************************** :KPT : NUMBER OF K-POINTS: 1