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 0.33333 -0.16667 63 :RKM : MATRIX SIZE 342LOs: 30 RKM= 8.47 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3877992 -0.7734549 -0.7106396 -0.5913652 -0.4319828 :EIG00006: -0.3281636 0.3481018 0.4676207 0.5148777 0.5206275 :EIG00011: 0.5501984 0.5911951 0.8427136 0.8638310 0.8679674 :EIG00016: 0.8899585 0.8981742 0.9163013 0.9846693 1.0712128 :EIG00021: 1.1947313 1.2702246 1.3503268 1.4518273 1.6798118 :EIG00026: 1.7626275 1.8094413 1.9878294 2.0931804 2.1555804 :EIG00031: 2.2756942 2.3687103 2.4986877 2.5566873 2.5662634 :EIG00036: 2.8218884 2.9983081 3.0947326 3.1912544 3.2437078 :EIG00041: 3.3049099 3.4025614 3.4543383 3.4582161 3.4842088 :EIG00046: 3.6008586 3.6215419 3.8250680 3.9387156 3.9662834 :EIG00051: 4.0061805 4.0596732 4.1418018 4.2645622 4.2752702 :EIG00056: 4.3770727 4.4422556 4.5647486 4.5907106 4.6227252 :EIG00061: 4.6478940 4.8030176 4.8183015 4.8384793 4.9875718 ******************************************************** :KPT : NUMBER OF K-POINTS: 1