ATOMIC SPHERE DEPENDENT PARAMETERS FOR ATOM Cm :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)= -2.8195 E(BOTTOM)= -3.048 E(TOP)= -2.591 LOCAL ORBITAL :E1_0001: E( 1)= -0.5830 E(BOTTOM)= -1.218 E(TOP)= 0.052 APW+lo :E1_0001: E( 1)= 0.3000 LOCAL ORBITAL :E3_0001: E( 3)= 0.5950 E(BOTTOM)= 0.595 E(TOP)= -200.000 APW+lo :E2_0001: E( 2)= 0.5900 E(BOTTOM)= 0.590 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)= -0.5280 E(BOTTOM)= -0.528 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= 8.81 WEIGHT= 1.00 PGR: EIGENVALUES ARE: :EIG00001: -2.7863354 -0.5573341 -0.5573341 -0.5573341 0.0249019 :EIG00006: 0.6952656 0.6952656 0.6952656 0.7744633 0.8474608 :EIG00011: 0.8474608 0.8474608 1.0177544 1.0177544 1.0177544 :EIG00016: 1.0593862 1.0593862 1.0593862 1.2072348 1.2072348 :EIG00021: 1.2158871 1.6905278 2.7849181 2.7849181 2.7849181 :EIG00026: 2.8154400 2.8154400 2.8154400 3.1433123 3.1433123 :EIG00031: 3.2277241 3.3497849 3.3497849 3.3497849 3.7581539 :EIG00036: 3.7581539 3.7581539 3.8350953 3.8350953 4.3826310 :EIG00041: 4.3826310 4.3826310 4.4317471 4.4317471 4.4317471 :EIG00046: 4.5591858 4.6734529 4.6734529 4.6734529 4.9718072 :EIG00051: 4.9718072 4.9796867 4.9796867 4.9796867 5.1441281 :EIG00056: 5.1508588 5.1527448 5.1527448 5.1527448 5.2825892 :EIG00061: 5.2825892 5.2825892 5.4156186 5.4156186 5.4156186 ******************************************************** :KPT : NUMBER OF K-POINTS: 72