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= 0.66667 0.50000 -0.50000 14 :RKM : MATRIX SIZE 347LOs: 30 RKM= 8.48 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3897023 -0.7801869 -0.6263125 -0.5716684 -0.5161689 :EIG00006: -0.3300290 0.3974035 0.3981867 0.4765619 0.5110928 :EIG00011: 0.5409649 0.5731671 0.8351936 0.8674801 0.8689740 :EIG00016: 0.8904840 0.9382157 0.9391040 0.9622844 1.1083300 :EIG00021: 1.1274259 1.2767431 1.3709415 1.4879871 1.4905736 :EIG00026: 1.6317802 2.0661600 2.1296085 2.2172740 2.2775820 :EIG00031: 2.2782902 2.3883577 2.4089492 2.6137972 2.6363180 :EIG00036: 2.7052985 2.9320183 3.0935896 3.1691205 3.2116271 :EIG00041: 3.3448997 3.4227988 3.4329256 3.4468735 3.4845468 :EIG00046: 3.5621631 3.6300115 3.6337488 3.8773858 3.9054916 :EIG00051: 4.0221340 4.1927189 4.2117902 4.2474251 4.3065751 :EIG00056: 4.3769797 4.3964946 4.5077917 4.5186433 4.6333571 :EIG00061: 4.7944406 4.8147630 4.8693603 4.8883962 4.9339322 :EIG00066: 4.9760594 4.9955213 ******************************************************** :KPT : NUMBER OF K-POINTS: 1