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 0.50000 -0.16667 70 :RKM : MATRIX SIZE 343LOs: 30 RKM= 8.48 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3879361 -0.7481191 -0.7403458 -0.5924272 -0.3782511 :EIG00006: -0.3766522 0.3741282 0.4379937 0.5006550 0.5304282 :EIG00011: 0.5445288 0.5945338 0.8402792 0.8695269 0.8709642 :EIG00016: 0.8928528 0.8972715 0.9075316 0.9810424 1.0953803 :EIG00021: 1.1725488 1.3056850 1.3121246 1.4580288 1.6517331 :EIG00026: 1.7557095 1.8673044 1.9742918 2.1571391 2.1742122 :EIG00031: 2.2747733 2.3841066 2.4161065 2.4806484 2.5664119 :EIG00036: 2.8779700 2.9371349 3.1387240 3.2496028 3.2766454 :EIG00041: 3.3451890 3.3589641 3.3778651 3.4751340 3.5868642 :EIG00046: 3.6452929 3.6706460 3.6848172 3.9182715 3.9384007 :EIG00051: 3.9975262 4.0141961 4.0935118 4.2352097 4.3595822 :EIG00056: 4.3895419 4.4207325 4.5002915 4.5678045 4.6548997 :EIG00061: 4.6980907 4.7975129 4.8672660 4.9105352 4.9597314 ******************************************************** :KPT : NUMBER OF K-POINTS: 1