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 -0.16667 46 :RKM : MATRIX SIZE 344LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3905975 -0.7593731 -0.6411524 -0.5715244 -0.4819260 :EIG00006: -0.3677410 0.3959432 0.3982076 0.4502101 0.4807715 :EIG00011: 0.5441128 0.5931316 0.8572343 0.8700511 0.8834180 :EIG00016: 0.8897251 0.9229856 0.9305055 0.9530512 1.1003173 :EIG00021: 1.1351741 1.2539054 1.4101305 1.4988235 1.5141337 :EIG00026: 1.6433251 1.9147567 2.0462859 2.2132822 2.2857077 :EIG00031: 2.3545150 2.4715645 2.5090173 2.6056819 2.7124854 :EIG00036: 2.7797166 2.9915271 3.0394691 3.1205661 3.2222718 :EIG00041: 3.3546014 3.3813054 3.4011272 3.4865697 3.5396624 :EIG00046: 3.6051787 3.6896547 3.7264210 3.7497900 3.8076852 :EIG00051: 3.8814243 4.0328172 4.1273051 4.2325636 4.2662748 :EIG00056: 4.3177378 4.4023859 4.4832900 4.5481149 4.6042915 :EIG00061: 4.6220089 4.7801652 4.7991914 4.9001475 4.9654674 :EIG00066: 4.9856193 ******************************************************** :KPT : NUMBER OF K-POINTS: 1