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= 0.50000 0.33333 -0.33333 12 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3902176 -0.7728417 -0.6175879 -0.5728260 -0.5166068 :EIG00006: -0.3423746 0.3924961 0.3937558 0.4697689 0.4994226 :EIG00011: 0.5582501 0.5613682 0.8475493 0.8649661 0.8734569 :EIG00016: 0.8904089 0.9339227 0.9418506 0.9571513 1.1135060 :EIG00021: 1.1228847 1.2537436 1.3998498 1.4922109 1.5032634 :EIG00026: 1.6157705 2.0178870 2.0805636 2.2450451 2.2563988 :EIG00031: 2.3126404 2.4200567 2.5687836 2.5888627 2.5939913 :EIG00036: 2.7178918 2.9580848 3.1295954 3.1508351 3.2490331 :EIG00041: 3.3235754 3.3640412 3.4139031 3.4821483 3.5104884 :EIG00046: 3.5676253 3.5733248 3.6735543 3.8346348 3.9000954 :EIG00051: 4.0140451 4.0167112 4.1572143 4.2597757 4.3156960 :EIG00056: 4.3929551 4.4186353 4.5084099 4.5960844 4.5982881 :EIG00061: 4.7167092 4.7453342 4.8300850 4.8845417 4.9222900 :EIG00066: 4.9467595 ******************************************************** :KPT : NUMBER OF K-POINTS: 1