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 0.58333 -0.58333 26 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3908726 -0.7501603 -0.6532310 -0.5668754 -0.4628859 :EIG00006: -0.3874667 0.3932469 0.3966520 0.4637243 0.4727679 :EIG00011: 0.5196080 0.6046302 0.8570542 0.8780231 0.8893895 :EIG00016: 0.8902586 0.9189734 0.9235415 0.9516379 1.0918157 :EIG00021: 1.1407854 1.2495208 1.4148014 1.5138723 1.5143473 :EIG00026: 1.6611594 1.8547197 2.0575356 2.1998686 2.3092097 :EIG00031: 2.4117353 2.4459492 2.5238538 2.5934866 2.7415632 :EIG00036: 2.7929179 2.9805497 2.9920655 3.1735395 3.1974977 :EIG00041: 3.3175597 3.3989094 3.4906530 3.4931815 3.5814918 :EIG00046: 3.5965045 3.6425375 3.6703192 3.7812281 3.7922270 :EIG00051: 3.8574293 4.0444627 4.0702621 4.2099305 4.3221883 :EIG00056: 4.3269914 4.3913300 4.4273874 4.5621812 4.5823798 :EIG00061: 4.6217459 4.6801215 4.7368884 4.8721937 4.9683792 ******************************************************** :KPT : NUMBER OF K-POINTS: 1