task		singlepoint       ! The TASK keyword instructs CASTEP what to do
xc_functional   LDA               ! Which exchange-correlation functional to use.
basis_precision MEDIUM            ! Choose high cut-off COARSE/MEDIUM/FINE/PRECISE
fix_occupancy   true              ! Treat the system as an insulator
opt_strategy    speed             ! Choose algorithms for best speed at expense of memory.
num_dump_cycles 0                 ! Don't write unwanted ".wvfn" files.