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 0.75000 -0.75000 17 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.50 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3935256 -0.7087258 -0.5870418 -0.5596534 -0.5078346 :EIG00006: -0.4395858 0.3537354 0.3599383 0.3963594 0.5143391 :EIG00011: 0.5392494 0.5770320 0.8735673 0.8828248 0.8902914 :EIG00016: 0.9200529 0.9345529 0.9361002 0.9448818 1.0931234 :EIG00021: 1.1062179 1.1362027 1.4965200 1.5351625 1.5545179 :EIG00026: 1.6865497 1.8303411 1.8902791 2.3130736 2.4245277 :EIG00031: 2.4270709 2.5039598 2.5865729 2.6329692 2.7430774 :EIG00036: 2.9215194 2.9244832 3.1792043 3.2445658 3.3231874 :EIG00041: 3.3765760 3.4353870 3.4939477 3.4952316 3.5229755 :EIG00046: 3.5814039 3.5991753 3.6155485 3.6927233 3.7131355 :EIG00051: 3.7632710 3.8953152 4.0331593 4.1046904 4.1332357 :EIG00056: 4.2077742 4.2398668 4.3867940 4.4621222 4.4723659 :EIG00061: 4.5050144 4.6154888 4.6502534 4.7457037 4.7569949 :EIG00066: 4.7774289 4.8779398 4.9288903 ******************************************************** :KPT : NUMBER OF K-POINTS: 1