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 0.66667 -0.66667 16 :RKM : MATRIX SIZE 338LOs: 30 RKM= 8.45 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3919945 -0.7416664 -0.6052248 -0.5638184 -0.5104073 :EIG00006: -0.3919903 0.3723699 0.3766266 0.4412101 0.4975153 :EIG00011: 0.5331620 0.5790506 0.8667069 0.8777083 0.8904286 :EIG00016: 0.8913106 0.9333122 0.9373202 0.9460625 1.1027755 :EIG00021: 1.1223256 1.1950487 1.4543773 1.5175285 1.5297457 :EIG00026: 1.6322665 1.8885609 1.9704878 2.2708286 2.3461635 :EIG00031: 2.4781288 2.4934883 2.5159413 2.6120615 2.7091764 :EIG00036: 2.8070897 2.9110042 3.1366400 3.2330404 3.2572333 :EIG00041: 3.3945338 3.4047575 3.4210588 3.4792415 3.5306114 :EIG00046: 3.5591916 3.6326110 3.6800319 3.6805842 3.7334952 :EIG00051: 3.8064172 3.9624465 4.0980953 4.1744421 4.2209778 :EIG00056: 4.3629500 4.3878059 4.4312259 4.5600713 4.5871568 :EIG00061: 4.6179773 4.6759422 4.6898729 4.8317730 4.8414917 :EIG00066: 4.8655487 4.9792127 4.9841948 ******************************************************** :KPT : NUMBER OF K-POINTS: 1