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= 0.75000 0.25000 -0.25000 31 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3886871 -0.7755638 -0.6812299 -0.5841821 -0.4563691 :EIG00006: -0.3343136 0.3708230 0.4488289 0.4531071 0.5276740 :EIG00011: 0.5596320 0.5933423 0.8460391 0.8580666 0.8806272 :EIG00016: 0.8864704 0.9063802 0.9230960 0.9701479 1.0783759 :EIG00021: 1.1742141 1.2979467 1.3623764 1.4631112 1.5439965 :EIG00026: 1.7035255 1.9972021 2.0128060 2.1165274 2.1419958 :EIG00031: 2.2641271 2.3867316 2.5356854 2.5959027 2.6439964 :EIG00036: 2.8864389 2.9322766 3.0303456 3.1852197 3.1880456 :EIG00041: 3.2241729 3.3597878 3.4362062 3.4651686 3.5730478 :EIG00046: 3.6622815 3.7014291 3.7165699 3.9169488 3.9460253 :EIG00051: 4.0136717 4.0877181 4.1180931 4.1582050 4.2104366 :EIG00056: 4.3332525 4.4539349 4.5120255 4.5566824 4.7099380 :EIG00061: 4.7462818 4.8293124 4.8325961 4.9361577 4.9519574 :EIG00066: 4.9773493 ******************************************************** :KPT : NUMBER OF K-POINTS: 1