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= 0.58333 0.25000 -0.08333 50 :RKM : MATRIX SIZE 348LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3902273 -0.7630242 -0.6451548 -0.5784021 -0.4773808 :EIG00006: -0.3605575 0.3943617 0.4166743 0.4252976 0.4831562 :EIG00011: 0.5645051 0.6010334 0.8546827 0.8720877 0.8850131 :EIG00016: 0.8992819 0.9109035 0.9212223 0.9538913 1.0869166 :EIG00021: 1.1505966 1.2843687 1.3838359 1.4873185 1.5067713 :EIG00026: 1.7091912 1.8761486 1.9999430 2.1802845 2.2438331 :EIG00031: 2.3442313 2.4855711 2.5325043 2.6151683 2.7620090 :EIG00036: 2.8426053 2.9738931 3.0175795 3.0589955 3.2250038 :EIG00041: 3.3441553 3.3678795 3.4291379 3.4613123 3.5733416 :EIG00046: 3.5920515 3.6511043 3.7290049 3.7947222 3.8913972 :EIG00051: 3.9327604 4.0521392 4.0800336 4.1089838 4.2075970 :EIG00056: 4.2967512 4.4109876 4.4510674 4.5342020 4.6192951 :EIG00061: 4.7186518 4.8360376 4.8527553 4.8946449 4.9745617 ******************************************************** :KPT : NUMBER OF K-POINTS: 1