Exercise 2

Fig 1.1 Kmax vs Total energies for FCC Cu

Usable range of Kmax: 5.00 to 6.00

Fig 1.2 Lmax and Lnonsph vs Total energies for FCC Cu

Usable limit for Lmax : 12.00 to 16.00

 Fig 1.3 Kpoints grid vs Total Energies for FCC Cu

Usable Kpoints : grid > 40x40x40 but with increasing grid point the computation time increases.