# Set up Si in the diamond structure
si_crystal = BulkConfiguration(
    bravais_lattice=FaceCenteredCubic(5.4306*Angstrom),
    elements=[Silicon, Silicon],
    cartesian_coordinates=[[ 0.     ,  0.     ,  0.     ],
                         [ 1.35765,  1.35765,  1.35765]]*Angstrom
    )

calculator = LCAOCalculator(
    numerical_accuracy_parameters=
    NumericalAccuracyParameters(k_point_sampling=(4, 4, 4))
    )

si_crystal.setCalculator(calculator)

# Calculate the density of states
dos = DensityOfStates(si_crystal, kpoints = MonkhorstPackGrid(16,16,16))
# save the DOS to a file
nlsave('si_dos.nc', dos)