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= 0.83333 0.50000 -0.50000 25 :RKM : MATRIX SIZE 344LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3897081 -0.7649261 -0.6711622 -0.5717701 -0.4602199 :EIG00006: -0.3583335 0.4082047 0.4119613 0.4512617 0.5028748 :EIG00011: 0.5228016 0.6043605 0.8450508 0.8730069 0.8733805 :EIG00016: 0.8890671 0.9201072 0.9244025 0.9606619 1.0923710 :EIG00021: 1.1478463 1.2845706 1.3884450 1.4928973 1.5097646 :EIG00026: 1.6486282 1.9330390 2.1468209 2.1778603 2.2650857 :EIG00031: 2.3280334 2.3452619 2.4349255 2.6125638 2.7077353 :EIG00036: 2.8026808 2.9449375 3.0472110 3.1070031 3.1770353 :EIG00041: 3.3063911 3.3622903 3.4691238 3.5057042 3.5844167 :EIG00046: 3.6013188 3.7166591 3.7479113 3.8108184 3.8300574 :EIG00051: 3.9197394 4.0998774 4.1402877 4.3010570 4.3032110 :EIG00056: 4.3626455 4.3652269 4.4292115 4.5824745 4.5998502 :EIG00061: 4.6157852 4.7980935 4.8282269 4.8999871 ******************************************************** :KPT : NUMBER OF K-POINTS: 1