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= 0.41667 0.25000 -0.25000 11 :RKM : MATRIX SIZE 344LOs: 30 RKM= 8.50 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3914828 -0.7519939 -0.6027846 -0.5702347 -0.5154912 :EIG00006: -0.3755377 0.3796898 0.3814705 0.4538159 0.4825294 :EIG00011: 0.5601906 0.5636187 0.8660943 0.8718041 0.8836927 :EIG00016: 0.8902144 0.9312906 0.9416956 0.9473532 1.1119426 :EIG00021: 1.1188037 1.2116053 1.4422423 1.5084434 1.5213994 :EIG00026: 1.6206196 1.9324076 1.9804773 2.2803172 2.2972795 :EIG00031: 2.4278160 2.5020205 2.5536565 2.5667407 2.7242952 :EIG00036: 2.7455732 2.9367444 3.1612592 3.1651972 3.2890614 :EIG00041: 3.3537977 3.3718785 3.4234339 3.4805800 3.4919494 :EIG00046: 3.5657674 3.6357490 3.6867408 3.7065664 3.7894438 :EIG00051: 3.8912438 3.9228124 4.1071777 4.2223171 4.2694503 :EIG00056: 4.3293173 4.4250674 4.5212828 4.5243422 4.5968800 :EIG00061: 4.6036314 4.6644094 4.8105073 4.8251933 4.8994522 :EIG00066: 4.9419083 4.9800891 ******************************************************** :KPT : NUMBER OF K-POINTS: 1