Dear Steve
Is there any empirical potential for ZnO, e.g. tersoff or reaxff?
Regards
Min
|
Don’t know. You probably have to search in the literature. The
new COMB potential in LAMMPS does Zn, but I don’t know
about ZnO (it does other oxides). You might send an
email to Ray, the author - see the top of the pair_comb.cpp file.
Steve