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 0.00000 0.00000 28 :RKM : MATRIX SIZE 341LOs: 30 RKM= 8.45 WEIGHT= 6.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3917650 -0.7469764 -0.5764073 -0.5764073 -0.5373046 :EIG00006: -0.3786857 0.3964730 0.3964730 0.4106961 0.4351198 :EIG00011: 0.5913140 0.5913140 0.8569750 0.8874597 0.8874597 :EIG00016: 0.9077959 0.9294618 0.9294618 0.9411964 1.0758220 :EIG00021: 1.1411479 1.2220356 1.4386276 1.5005567 1.5005567 :EIG00026: 1.7718783 1.8472603 1.8472603 2.2208285 2.3246908 :EIG00031: 2.5170550 2.5170550 2.5357890 2.5952617 2.8394186 :EIG00036: 2.8394186 2.8673065 3.1682648 3.1682648 3.3008969 :EIG00041: 3.3126542 3.3591027 3.4231233 3.4318381 3.5428237 :EIG00046: 3.5428237 3.6198297 3.7022349 3.8095875 3.8519092 :EIG00051: 3.8519092 3.9475495 3.9475495 4.1434143 4.1603143 :EIG00056: 4.2016634 4.3972030 4.3972030 4.5244109 4.6070502 :EIG00061: 4.6070502 4.6203502 4.6677661 4.8430987 4.9786340 :EIG00066: 4.9786340 ******************************************************** :KPT : NUMBER OF K-POINTS: 1