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= 0.58333 0.41667 -0.41667 13 :RKM : MATRIX SIZE 347LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3895642 -0.7824681 -0.6258215 -0.5733438 -0.5170909 :EIG00006: -0.3261573 0.3983697 0.3995929 0.4737644 0.5149728 :EIG00011: 0.5504568 0.5663314 0.8320934 0.8662703 0.8694704 :EIG00016: 0.8904899 0.9372394 0.9411110 0.9637326 1.1113433 :EIG00021: 1.1244227 1.2850002 1.3586351 1.4857872 1.4880653 :EIG00026: 1.6381541 2.0999776 2.1288585 2.2106381 2.2680731 :EIG00031: 2.2859487 2.3272292 2.4329566 2.6063530 2.6166283 :EIG00036: 2.7295392 2.9160831 3.1021572 3.1534375 3.2231343 :EIG00041: 3.3177372 3.4213405 3.4638015 3.4717408 3.4923269 :EIG00046: 3.5282272 3.6108316 3.6451180 3.8796988 3.9304667 :EIG00051: 4.0990978 4.1360818 4.1692360 4.2633866 4.3406221 :EIG00056: 4.3771422 4.3835158 4.5106847 4.5898406 4.5943393 :EIG00061: 4.8020541 4.8029716 4.8875243 4.9074876 4.9463538 ******************************************************** :KPT : NUMBER OF K-POINTS: 1