Dear all,
Many potential files are there in lammps potential folder. Can use those files for any units (metal units, real units). Is it common for all units type like metal, real, etc.?
with regards
Angela
angela,
Dear all,
Many potential files are there in lammps potential folder. Can use those
files for any units (metal units, real units). Is it common for all units
type like metal, real, etc.?
no. most of those potential files are written for pair styles
that require a specific unit style, usually metal units.
you would have to convert the entries in the file, and potentially
even part of the pair style when using different units.
cheers,
axel.
And the doc page for the associated pair style tells
you what units the file(s) in the potential dir are in.
Steve
thank you very much. It is there in doc page. I havn’t noticed it.
Karthik V
Dear sir,
Thank you.
Sir, can you suggest me how to change potential file entries to real units. in Cu_u3.eam file only numerical values are there. How to convert the file for using it in real units?
with regards
Angela
Dear sir,
Thank you.
Sir, can you suggest me how to change potential file entries to real units.
in Cu_u3.eam file only numerical values are there. How to convert the file
for using it in real units?
it would be much easier to change your input to metal units.
been there, done that, _and_ got the t-shirt. 
axel.
In principle, it's simple. Every number in the potential file
has an associated unit. Change that number to the
same value in an alternate units system. If you do it
right, then the simulation in the new units will
give exactly the same answer as in the old units. Exactly,
to as many digits as you do the conversion correctly.
This also assumes you change all the values in your
input script to the new units.
This process is error prone and I don't recommend it.
Why not just do your simulation in the provided unit
system and convert the output to the units you want?
Steve