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= 0.41667 0.41667 -0.41667 6 :RKM : MATRIX SIZE 347LOs: 30 RKM= 8.46 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3901136 -0.7793552 -0.5707774 -0.5705588 -0.5705588 :EIG00006: -0.3304762 0.3889405 0.3889405 0.4912964 0.5117253 :EIG00011: 0.5482037 0.5482037 0.8399454 0.8679625 0.8679625 :EIG00016: 0.8907811 0.9447616 0.9447616 0.9590582 1.1172545 :EIG00021: 1.1172545 1.2536416 1.3819950 1.4952723 1.4952723 :EIG00026: 1.6137238 2.0792345 2.0792345 2.2721685 2.2739609 :EIG00031: 2.2739609 2.4814843 2.4814843 2.5877369 2.6169441 :EIG00036: 2.6169441 2.9129522 3.2059305 3.2407954 3.2407954 :EIG00041: 3.3559497 3.3559497 3.3929776 3.4599895 3.4783525 :EIG00046: 3.4783525 3.5513524 3.6278743 3.8984458 3.8984458 :EIG00051: 4.1031904 4.1031904 4.1254530 4.3370839 4.3370839 :EIG00056: 4.3630236 4.4127358 4.4619011 4.6310070 4.6310070 :EIG00061: 4.7286756 4.7286756 4.8473376 4.9360729 4.9377437 :EIG00066: 4.9377437 4.9905482 4.9905482 ******************************************************** :KPT : NUMBER OF K-POINTS: 1