# Compute elastic constant tensor for a crystal at finite temperature
# These settings replicate the 1477~K benchmark of
# Kluge, Ray, and Rahman (1986) that is Ref.[15] in:
# Y. Zhen, C. Chu, Computer Physics Communications 183(2012) 261-265

# here: Y. Zhen, C. Chu, Computer Physics Communications 183(2012) 261-265

include init.in

# Compute initial state

include potential.in
thermo_style custom step temp pe press density
run ${nequil}

# Run dynamics

include potential.in
include output.in

run ${nrun}

# Output final values

include final_output.in