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= 1.00000 0.50000 0.00000 72 :RKM : MATRIX SIZE 338LOs: 30 RKM= 8.35 WEIGHT= 6.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3876616 -0.7464137 -0.7464137 -0.5976766 -0.3731686 :EIG00006: -0.3731686 0.3623559 0.4406015 0.5345127 0.5345127 :EIG00011: 0.5514907 0.5697862 0.8408627 0.8684261 0.8684261 :EIG00016: 0.8980179 0.8980179 0.9024056 0.9862264 1.0991614 :EIG00021: 1.1761539 1.2972984 1.2972984 1.4538790 1.7169659 :EIG00026: 1.7813719 1.8711149 1.8711149 2.1660857 2.1660857 :EIG00031: 2.2557962 2.4443398 2.4536611 2.4545209 2.4545209 :EIG00036: 2.8988565 2.9073732 3.2471228 3.2471228 3.3047140 :EIG00041: 3.3619358 3.3619358 3.4915973 3.4915973 3.5068707 :EIG00046: 3.5481709 3.5637679 3.6714185 3.9555223 3.9584756 :EIG00051: 3.9584756 3.9895583 4.2029628 4.2972800 4.2972800 :EIG00056: 4.4600099 4.4628918 4.5513676 4.5513676 4.6302964 :EIG00061: 4.6602466 4.7248561 4.7248561 4.9895763 4.9991197 ******************************************************** :KPT : NUMBER OF K-POINTS: 1