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= 0.91667 0.25000 -0.25000 38 :RKM : MATRIX SIZE 341LOs: 30 RKM= 8.50 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3879367 -0.7769476 -0.7018141 -0.5878242 -0.4449582 :EIG00006: -0.3232913 0.3475040 0.4749739 0.4913059 0.5314824 :EIG00011: 0.5470747 0.5959047 0.8433555 0.8607438 0.8706027 :EIG00016: 0.8887950 0.8989316 0.9200223 0.9822678 1.0648003 :EIG00021: 1.1970520 1.2719542 1.3626560 1.4517470 1.6400415 :EIG00026: 1.7418507 1.8481874 2.0266746 2.0932746 2.1111781 :EIG00031: 2.2850938 2.3613548 2.5163639 2.5848147 2.6144537 :EIG00036: 2.8579658 2.8903607 3.1507629 3.1602512 3.1920865 :EIG00041: 3.3051910 3.3804373 3.4356603 3.4633813 3.4977022 :EIG00046: 3.5852208 3.6773530 3.8635886 3.8902607 4.0132307 :EIG00051: 4.0264671 4.0538569 4.1670820 4.2123935 4.2338314 :EIG00056: 4.3547531 4.4850731 4.5198719 4.6208432 4.6499981 :EIG00061: 4.6530372 4.7485015 4.8171024 4.8587108 4.9746976 ******************************************************** :KPT : NUMBER OF K-POINTS: 1