[lammps-users] Making MEAM potential

Dear all,

I am a new guy to use lammps.
How do I make a MEAM potential file of transition metal for MD calculation?
I tried to search manual but I failed.
Thank you.

HeeSung Choi

Hi HeeSung,

First you need to make the meam library. Just go to lammps-date\lib\meam and type make (you need to have fortran compilers in your cluster/box). Then you need to type make yes-meam in the src\ directory since by default the MEAM library is not included in the lammps installation. Finally, you need to modify your Makefile.foo to include some extra lines to include the library when lammps is linked with various libraries. You can find these in the makefiles in lammps-date\src\MAKE\ that have -meam at the end of the filename.

Hope this helps

If you're asking how to derive MEAM parameters for some
new material, then you'll have to read MEAM papers or
talk to a MEAM expert. The hooks are all there in the
MEAM potential files, but I can't tell you what values to
set them to.