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= 0.75000 0.58333 -0.58333 15 :RKM : MATRIX SIZE 344LOs: 30 RKM= 8.49 WEIGHT=24.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3905938 -0.7662119 -0.6190741 -0.5682069 -0.5137159 :EIG00006: -0.3533532 0.3887821 0.3898862 0.4738336 0.4945147 :EIG00011: 0.5337813 0.5777767 0.8543125 0.8693133 0.8727237 :EIG00016: 0.8904714 0.9348203 0.9387246 0.9542646 1.1062367 :EIG00021: 1.1286902 1.2419555 1.4157547 1.5024905 1.5062874 :EIG00026: 1.6105444 1.9720163 2.0648537 2.2365661 2.2887409 :EIG00031: 2.3617115 2.4541964 2.5086107 2.6159800 2.6592158 :EIG00036: 2.6973719 2.9634629 3.1061473 3.2016521 3.2162361 :EIG00041: 3.3473098 3.4004682 3.4059982 3.4335910 3.5147464 :EIG00046: 3.5833619 3.6179421 3.6620914 3.8006756 3.8492937 :EIG00051: 3.8996684 4.0628127 4.1622646 4.2703791 4.2949665 :EIG00056: 4.3976070 4.4365658 4.4700585 4.5307061 4.6242239 :EIG00061: 4.6883132 4.7450099 4.7635413 4.8777595 4.9472892 :EIG00066: 4.9580436 4.9639372 ******************************************************** :KPT : NUMBER OF K-POINTS: 1