About Tersoff potential for system including hydrogen atom

Dear all,
I have read the Tersoff command in the lammps manual and the example for SiC, but I still don’t know how to gain the Tersoff potential for three types atoms, for example, if a system consist of Si-O-H, then, how to establish this potential and determinate the parameters for this system.
Thank you in advance for consideration.

wang

Dear all,
I have read the Tersoff command in the lammps manual and the example for
SiC, but I still don't know how to gain the Tersoff potential for three
types atoms, for example, if a system consist of Si-O-H, then, how to
establish this potential and determinate the parameters for this system.

there are too many parameter sets and variants thereof for
many of the potentials implemented into lammps so that
lammps can ship all of those files. you are kindly requested
to research whether suitable parameter sets are available
in the published literature. for some types of potentials, e.g.
eam, also online repositories exist.

other than that, you may have to derive the parameters for
yourself. however, this is a laborious and far from trivial process,
in many cases bordering on being a black art. this is particularly
true for manybody potentials like tersoff. the procedure on how
a specific parameter set was derived _is_ published in the
corresponding papers, though.

good luck,
     axel.