I want to do a simulation containing two types atoms, as silicon (type 1) and carbon (type 2), (not SiC). I utilize the tersoff potential to describe the atomic interactions as follows:
pair_coeff * * Si.tersoff Si NULL
pair_coeff * * C.tersoff NULL C
pair_coeff 1 2 SiC.tersoff Si C
But it encounter problem to run it successfully. How can I deal with it? Many thanks for any advice.