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= 1.00000 0.83333 -0.83333 18 :RKM : MATRIX SIZE 345LOs: 30 RKM= 8.43 WEIGHT=12.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3947769 -0.6716262 -0.5680963 -0.5568710 -0.5092184 :EIG00006: -0.4868985 0.3390783 0.3437026 0.3590456 0.5358749 :EIG00011: 0.5489300 0.5703541 0.8812229 0.8863957 0.8899527 :EIG00016: 0.9305193 0.9405813 0.9445839 0.9516947 1.0767102 :EIG00021: 1.0832796 1.0843759 1.5424233 1.5584003 1.5731470 :EIG00026: 1.7343140 1.8042468 1.8339099 2.2834928 2.4358594 :EIG00031: 2.5011987 2.5063054 2.5795616 2.5965516 2.8746171 :EIG00036: 2.9839086 2.9993020 3.2048725 3.2086149 3.3008236 :EIG00041: 3.3130421 3.4916101 3.4977958 3.5314212 3.5332750 :EIG00046: 3.6226145 3.6890851 3.6934716 3.7099705 3.7246306 :EIG00051: 3.7459290 3.8426702 3.9760063 4.0329820 4.0702282 :EIG00056: 4.1058940 4.1091927 4.3024064 4.3220459 4.3687388 :EIG00061: 4.4428806 4.4717909 4.5077210 4.5590599 4.5854044 :EIG00066: 4.7805384 ******************************************************** :KPT : NUMBER OF K-POINTS: 1