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 0.16667 0.00000 61 :RKM : MATRIX SIZE 348LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3881798 -0.7945825 -0.6414436 -0.5935336 -0.5063314 :EIG00006: -0.2968562 0.3201050 0.4820599 0.4905361 0.5408348 :EIG00011: 0.5700284 0.5843351 0.8450163 0.8608454 0.8669442 :EIG00016: 0.8937521 0.9150424 0.9210008 0.9782563 1.0355709 :EIG00021: 1.2078469 1.2703936 1.4009310 1.4512962 1.5530226 :EIG00026: 1.8195189 1.8894254 1.8906306 2.0206025 2.0597474 :EIG00031: 2.4258477 2.4772550 2.5143860 2.6458026 2.6638379 :EIG00036: 2.8616310 3.0045960 3.0117064 3.1536547 3.1879040 :EIG00041: 3.2522884 3.2775401 3.3296038 3.4097311 3.5101728 :EIG00046: 3.5795116 3.8243504 3.8483542 3.8886224 3.9710140 :EIG00051: 4.0059198 4.0684199 4.1161738 4.2469569 4.2701598 :EIG00056: 4.4056412 4.4656070 4.4858508 4.5735211 4.6811556 :EIG00061: 4.7481801 4.8312828 4.8716484 4.9417218 4.9612621 ******************************************************** :KPT : NUMBER OF K-POINTS: 1