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)= -2.4980 E(BOTTOM)= -2.796 E(TOP)= -2.200 LOCAL ORBITAL :E1_0001: E( 1)= -0.4140 E(BOTTOM)= -1.136 E(TOP)= 0.308 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.6850 E(BOTTOM)= 0.685 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.6450 E(BOTTOM)= 0.645 E(TOP)= -200.000 APW+lo ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM C :e__0002: OVERALL ENERGY PARAMETER IS 0.3000 OVERALL BASIS SET ON ATOM IS LAPW :E0_0002: E( 0)= -0.4540 E(BOTTOM)= -0.454 E(TOP)= -200.000 APW+lo :E0_0002: E( 0)= 0.5000 LOCAL ORBITAL :E1_0002: E( 1)= 0.3000 APW+lo K= 0.00000 0.00000 0.00000 1 :RKM : MATRIX SIZE 284LOs: 25 RKM= 8.80 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.4614312 -0.4068107 -0.4068107 -0.4068107 0.1246651 :EIG00006: 0.7948862 0.7948862 0.7948862 0.8973306 0.9990768 :EIG00011: 0.9990768 0.9990768 1.0800960 1.0800960 1.0800960 :EIG00016: 1.2068382 1.2068382 1.2068382 1.2783928 1.2783928 :EIG00021: 1.3210595 1.8007807 2.9013552 2.9013552 2.9013552 :EIG00026: 2.9407900 2.9407900 2.9407900 3.2229807 3.2229807 :EIG00031: 3.3705614 3.5341901 3.5341901 3.5341901 3.8636938 :EIG00036: 3.8636938 3.8636938 3.9615818 3.9615818 4.4528204 :EIG00041: 4.4528204 4.4528204 4.4943212 4.4943212 4.4943212 :EIG00046: 4.7136071 4.7136071 4.7136071 4.7246489 ******************************************************** :KPT : NUMBER OF K-POINTS: 72