Dear Lammps_users
If we have got the EAM parameters for a certain material or alloy,
How can we create the potential file for the LAMMPS run?
Best Regards
Zhenyu Yang
State Key Laboratory of Nonlinear Mechanics (LNM)
Institute of Mechanics, Chinese Academy of Sciences
No.15 Beisihuanxi Road
Beijing 100080, P. R. China
FAX: 010-62579511
[email protected]...
2006-05-24
If we have got the EAM parameters for a certain material or alloy,
> How can we create the potential file for the LAMMPS run?
Not sure what you mean by "parameters", since different formulations
of EAM take different kinds of parameters. As explained in the
doc for the pair_style command, the EAM in LAMMPS expects
an EAM file (format is described in the doc) that has tabulations
of the rho, pair-potential, embedding function in it. If you
have your own derived functionals, you'll need to tabulate them
into a file in the format LAMMPS expects.
Steve