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= 0.83333 0.33333 -0.33333 32 :RKM : MATRIX SIZE 337LOs: 30 RKM= 8.45 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3884463 -0.7665091 -0.7074986 -0.5817504 -0.4310178 :EIG00006: -0.3461618 0.3868383 0.4486047 0.4536598 0.5338861 :EIG00011: 0.5339915 0.6039386 0.8375480 0.8658177 0.8805458 :EIG00016: 0.8813696 0.9040183 0.9204496 0.9738980 1.0830908 :EIG00021: 1.1733726 1.2923478 1.3625420 1.4646420 1.5650508 :EIG00026: 1.6964813 1.9507252 2.0862718 2.1623611 2.1724354 :EIG00031: 2.2328140 2.3297452 2.4275403 2.6250642 2.6295377 :EIG00036: 2.8690322 2.8918137 3.0944844 3.1529076 3.1541309 :EIG00041: 3.2388368 3.4130629 3.4793791 3.5299017 3.5665057 :EIG00046: 3.6404887 3.7320688 3.7704409 3.8828178 3.9083746 :EIG00051: 3.9745736 4.0134785 4.1625198 4.2265132 4.2939316 :EIG00056: 4.3076049 4.4965933 4.5142692 4.5647408 4.6739035 :EIG00061: 4.6803673 4.7483846 4.8850218 4.8992288 4.9404847 ******************************************************** :KPT : NUMBER OF K-POINTS: 1