To the lammps community
I want to simulate Si-H and Ge-H system based on tersoff potential, and have found parameters on several leteratures( 1:Empirical interatomic potential for Si-H interactions, 2: Ge-H empirical potential and simulation of Si epitaxy on Ge(100)by chemical vapor deposition from SiH4). However this variant of tersoff potential is not compatible with pair_style tersoff.
are there anyone with experience in implementing such potential with lammps?
Thanks.
To the lammps community
I want to simulate Si-H and Ge-H system based on tersoff potential, and
have found parameters on several leteratures( 1:Empirical interatomic
potential for Si-H interactions, 2: Ge-H empirical potential and simulation
of Si epitaxy on Ge(100)by chemical vapor deposition from SiH4). However
this variant of tersoff potential is not compatible with pair_style tersoff.are there anyone with experience in implementing such potential with
lammps?
the best approach is to create a derived class from PairTersoff and
replace only the parts that are different.
see for example pair styles tersoff/mod or tersoff/zbl
axel.