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= 0.66667 0.16667 0.00000 56 :RKM : MATRIX SIZE 347LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3895813 -0.7768604 -0.6293467 -0.5854108 -0.5041694 :EIG00006: -0.3318124 0.3596685 0.4407391 0.4413316 0.4989523 :EIG00011: 0.5807539 0.5991974 0.8493496 0.8726944 0.8774918 :EIG00016: 0.9006899 0.9138008 0.9194925 0.9583068 1.0601936 :EIG00021: 1.1761050 1.3355931 1.3458269 1.4718737 1.4907088 :EIG00026: 1.7751562 1.8693572 1.9513912 2.1249023 2.1423222 :EIG00031: 2.4103116 2.4798175 2.5554365 2.6544687 2.7509050 :EIG00036: 2.8459699 2.9567163 3.0315315 3.0569634 3.2389054 :EIG00041: 3.3003090 3.3117358 3.3640138 3.4581414 3.5083305 :EIG00046: 3.6920373 3.6956544 3.7863837 3.8287306 3.9337716 :EIG00051: 3.9403437 3.9808397 4.0227014 4.1409621 4.2754407 :EIG00056: 4.2918756 4.4173467 4.5110796 4.5795432 4.6149563 :EIG00061: 4.7803567 4.7842586 4.8999562 4.9708185 4.9728698 ******************************************************** :KPT : NUMBER OF K-POINTS: 1