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= 0.50000 0.16667 -0.16667 21 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.45 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3912503 -0.7519453 -0.6177675 -0.5752216 -0.4961612 :EIG00006: -0.3774143 0.3921541 0.3957519 0.4311685 0.4581221 :EIG00011: 0.5793641 0.5813136 0.8597751 0.8764234 0.8888123 :EIG00016: 0.9010181 0.9164498 0.9334773 0.9467508 1.0948125 :EIG00021: 1.1354619 1.2340974 1.4243060 1.4977712 1.5131616 :EIG00026: 1.6843469 1.8930727 1.9422954 2.2323275 2.2972754 :EIG00031: 2.3934573 2.5409211 2.5490519 2.5995410 2.7669000 :EIG00036: 2.7830539 2.9790419 3.0491248 3.1312674 3.3023875 :EIG00041: 3.3257859 3.4246617 3.4271885 3.4424216 3.5094537 :EIG00046: 3.5489703 3.6373424 3.7215061 3.7948408 3.8290209 :EIG00051: 3.9028717 3.9068032 4.0654689 4.1627879 4.1989832 :EIG00056: 4.2702000 4.4307751 4.4401243 4.4881175 4.6145300 :EIG00061: 4.6353508 4.7355133 4.7708286 4.9032790 4.9273744 :EIG00066: 4.9652499 ******************************************************** :KPT : NUMBER OF K-POINTS: 1