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= 0.91667 0.41667 -0.25000 59 :RKM : MATRIX SIZE 342LOs: 30 RKM= 8.49 WEIGHT=48.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3881730 -0.7563525 -0.7274297 -0.5858805 -0.4079192 :EIG00006: -0.3569946 0.3805499 0.4448138 0.4780267 0.5242201 :EIG00011: 0.5402234 0.6051446 0.8389589 0.8684946 0.8759630 :EIG00016: 0.8857550 0.8979024 0.9147419 0.9775685 1.0845211 :EIG00021: 1.1773078 1.2952401 1.3435770 1.4610782 1.6129166 :EIG00026: 1.7233721 1.8827167 2.0572069 2.1422719 2.1783730 :EIG00031: 2.2645821 2.3487484 2.4086332 2.5476259 2.6323409 :EIG00036: 2.8371462 2.9576504 3.0590666 3.2216981 3.2276740 :EIG00041: 3.2562043 3.3868834 3.4419125 3.5193015 3.5581373 :EIG00046: 3.6523236 3.7183560 3.7824807 3.8522783 3.9486149 :EIG00051: 3.9919119 4.0339040 4.1205307 4.1453608 4.3407129 :EIG00056: 4.3861072 4.4420448 4.5221684 4.5726445 4.6282806 :EIG00061: 4.7042701 4.7404991 4.8303649 4.9237826 4.9603679 ******************************************************** :KPT : NUMBER OF K-POINTS: 1