Respected Sir,
My Aim is to create a .adp file for Ni-Fe alloy, for that to get some Idea I was following AlCu.adp file provided in LAMMPS potential directory as an example.
I compared it with Al-Cu ADP potential files given in “https://www.ctcms.nist.gov/potentials/Al.html#Al-Cu”.
It seems to me similar but not same.
For eg. At same distance F(rho) values are different in two files at corresponding locations.
Sir, Please help me to resolve this issue and guide me to create .adp file for Ni-Fe system.
I will be highly thankful to you.
From: Anil Mangla <[email protected]...>
Date: Sat, Jul 15, 2017 at 6:16 PM
Subject: Doubt regarding AlCu.adp file and how to create .adp file
To: [email protected]...
Respected Sir,
My Aim is to create a .adp file for Ni-Fe alloy, for that to get some Idea I
was following AlCu.adp file provided in LAMMPS potential directory as an
example.
I compared it with Al-Cu ADP potential files given in
"https://www.ctcms.nist.gov/potentials/Al.html#Al-Cu".
It seems to me similar but not same.
please see the documentation at:
http://lammps.sandia.gov/doc/pair_adp.html
for a detailed description of the potential file format as used by LAMMPS.
axel.