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)= -2.4285 E(BOTTOM)= -2.758 E(TOP)= -2.099 LOCAL ORBITAL :E1_0001: E( 1)= -0.3360 E(BOTTOM)= -1.106 E(TOP)= 0.434 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.7450 E(BOTTOM)= 0.745 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.7050 E(BOTTOM)= 0.705 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM N :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.0060 E(BOTTOM)= -0.616 E(TOP)= 0.604 APW+lo :E0_0002: E( 0)= 0.6000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 284LOs: 25 RKM= 8.83 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.3913931 -0.3369929 -0.3369929 -0.3369929 -0.0633316 :EIG00006: 0.7861354 0.7861354 0.7861354 0.9637732 1.0791414 :EIG00011: 1.0791414 1.0791414 1.1431173 1.1431173 1.1431173 :EIG00016: 1.1754470 1.2027168 1.2027168 1.2027168 1.3593792 :EIG00021: 1.3593792 1.8815401 2.9935565 2.9935565 2.9935565 :EIG00026: 3.0346851 3.0346851 3.0346851 3.3400503 3.3400503 :EIG00031: 3.3923683 3.5449306 3.5449306 3.5449306 4.0142005 :EIG00036: 4.0142005 4.0142005 4.1409687 4.1409687 4.5887646 :EIG00041: 4.5887646 4.5887646 4.6500881 4.6500881 4.6500881 :EIG00046: 4.6595574 4.8592479 4.8592479 4.8592479 ******************************************************** :KPT : NUMBER OF K-POINTS: 195