Stillinger Weber potential for SiGe

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1

Hi Lammps users,

I know I can use Tersoff potential file for SiCGe information to make a SiGe tersoff potential file, but I am using Stillinger Weber potential for Silicon and therefore, I’d like to use Stillinger Weber potential for my SiGe domain for consistency. Below is what I have filled out so far based on Si.sw file and Ding and Andersen, “Molecular-dynamics simulation of amorphous germanium”, PRB, 1986. How do I fill out the rest of the blanks below? Does epsilon and lambda entries represent epsilon_ijk and lambda_ijk? Please take a look at the table below and any comments and suggestions will be helpful.

Thanks!
Jaeyun

2

Hi Lammps users,

I know I can use Tersoff potential file for SiCGe information to make a
SiGe tersoff potential file, but I am using Stillinger Weber potential for
Silicon and therefore, I'd like to use Stillinger Weber potential for my
SiGe domain for consistency. Below is what I have filled out so far based
on Si.sw file and Ding and Andersen, "Molecular-dynamics simulation of
amorphous germanium", PRB, 1986. How do I fill out the rest of the blanks
below? Does epsilon and lambda entries represent epsilon_ijk and
lambda_ijk? Please take a look at the table below and any comments and
suggestions will be helpful.

​please carefully study the documentation of the sw pair style, where all
details are given: ​LAMMPS Molecular Dynamics Simulator

axel.