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= 0.25000 0.25000 -0.25000 4 :RKM : MATRIX SIZE 341LOs: 30 RKM= 8.44 WEIGHT= 8.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3927781 -0.7294332 -0.5635640 -0.5635640 -0.5457202 :EIG00006: -0.4054311 0.3626138 0.3626138 0.4216441 0.5206000 :EIG00011: 0.5497879 0.5497879 0.8752534 0.8752534 0.8899893 :EIG00016: 0.8991053 0.9409176 0.9419459 0.9419459 1.1081289 :EIG00021: 1.1081289 1.1617014 1.4767786 1.5357102 1.5357102 :EIG00026: 1.6313037 1.9060022 1.9060022 2.3533690 2.3533690 :EIG00031: 2.4079475 2.5508814 2.5508814 2.5742764 2.8244638 :EIG00036: 2.8298692 2.8298692 3.1841126 3.2897411 3.2897411 :EIG00041: 3.4070410 3.4397738 3.4466249 3.4466249 3.5526334 :EIG00046: 3.5680235 3.5680235 3.6318792 3.6318792 3.6787523 :EIG00051: 3.8826173 3.8826173 4.0716761 4.1520687 4.1520687 :EIG00056: 4.2963439 4.3995620 4.4596783 4.4596783 4.5752330 :EIG00061: 4.5752330 4.5807402 4.7029886 4.8355836 4.8455011 :EIG00066: 4.8455011 4.9097156 4.9097156 4.9985387 ******************************************************** :KPT : NUMBER OF K-POINTS: 1