(no subject)

Dear Greg Wagner,

I am benchmarking 2nn meam potential, which is implemented in lammps, to study Pt-Fe alloy system.
I successfully obtained the elastic constants of both L12-ordered Fe3Pt and FePt3, which are presented in Dr. Lee’s paper, JMR 199 2006.
However, I cannot reproduce some results about L10-FePt system.
The reason that i find is that among the input parameters, there is no option for lattice = ‘l10’.
I used lattice=‘fcc’, and I created the l10 structure by lammps commands, but it gives different results.
How should i do to run MD with l10 Fe-Pt alloy system?

Best regards,

Minwoong Joe

Greg will have to answer this one ...


And I just remembered, I think he is out
of the office for a few weeks ...