[lammps-users] Meam potential

Dear lammps users,

I am a beginner of lammps, I want to konw whether lammps can do close-packed hexagonal lattice(hcp) metals using Meam potentials? If it can do this,how can generate atomic coordinates?

Best regards,


The lattice and create_atoms commands can build an hcp lattice.
If MEAM is parameterized for your material, then it can do an hcp
lattice as well.


2009/7/1 dinglanhua2008 <[email protected]...>:

Hi steeve,

I just got a feeling that the compute stress/atom does not include the KE
part while calculating stress/atom.

From the little knowledge of lammps coding style, it seems KE part of stress

is calculated only for "grouped" atoms and not for all atoms in

My doubt rises from comparing the stress-strain behavior of polymer where I
am plotting a component of stress (-pressure) from VIRIAL definition against
sum of {stress_per_atom/volume_per_atom} wth strain.

Both these measures of stress look exactly same except a constant different
through-out the plot.

The figure is attached.

Please let me know further for the reasons of this difference.

Thanks in Advance!!

Kind Regards,
Dhiraj K. Mahajan

The doc page is pretty clear about what compute stress/atom
calculates. KE is included unless you turn it off. If you use
a group, instead of all, then it won't be computed for atoms not
in the group.