task		singlepoint       ! The TASK keyword instructs CASTEP what to do
xc_functional   LDA               ! Which exchange-correlation functional to use.
cut_off_energy  120 eV            ! Planewave cutoff
#basis_precision FINE             ! Choose high cut-off COARSE/MEDIUM/FINE/PRECISE
fix_occupancy   false             ! Treat the system as an metal
opt_strategy    speed             ! Choose algorithms for best speed at expense of memory.
num_dump_cycles 0                 ! Don't write unwanted ".wvfn" files.
devel_code      old_dm            ! Choose alternative SCF solver
spin_polarised  false             ! Don't allow magnetic spin density