ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Pu :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)= -2.7700 E(BOTTOM)= -3.215 E(TOP)= -2.325 LOCAL ORBITAL :E1_0001: E( 1)= -0.5970 E(BOTTOM)= -1.542 E(TOP)= 0.348 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.6725 E(BOTTOM)= 0.345 E(TOP)= 1.000 APW+lo :E2_0001: E( 2)= 0.4100 E(BOTTOM)= 0.410 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)= -0.5750 E(BOTTOM)= -1.108 E(TOP)= -0.042 APW+lo :E0_0002: E( 0)= 0.3000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 369LOs: 30 RKM= 8.79 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.7168049 -0.6710447 -0.6710447 -0.6710447 -0.5990788 :EIG00006: -0.4806157 0.3483597 0.3483597 0.3483597 0.5458457 :EIG00011: 0.5458457 0.5458457 0.7166681 0.7166681 0.7166681 :EIG00016: 0.7533474 0.8304861 0.8304861 0.8304861 1.0709426 :EIG00021: 1.0751093 1.0751093 1.6084958 1.6084958 1.6084958 :EIG00026: 1.8141529 1.8141529 1.8141529 2.2164875 2.5684633 :EIG00031: 2.5684633 2.6475525 2.6475525 2.6475525 3.0617863 :EIG00036: 3.0617863 3.0617863 3.1841812 3.1841812 3.1841812 :EIG00041: 3.3310938 3.6462094 3.6462094 3.7806202 3.7806202 :EIG00046: 3.7806202 3.8264303 3.8264303 3.8340951 3.8340951 :EIG00051: 3.8340951 3.8913156 4.1455583 4.1455583 4.1455583 :EIG00056: 4.1661861 4.2368937 4.2368937 4.2368937 4.3638747 :EIG00061: 4.3638747 4.3638747 4.4564317 4.4564317 4.4564317 :EIG00066: 4.7782443 ******************************************************** :KPT : NUMBER OF K-POINTS: 195