[lammps-users] for sn potential and its coeff

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1

hello, i want to use potential for Sn and i know its lattice is
tetragonal ,but i do not sure it is really fcc or bcc. would you tell
me what it is or where i can find the potential coeff for Sn. Because
Sn is covalent bond though it has regular structure, so i wonder if
the eam potential is fit it.

So,i want to know what mean the sentence "drho and dr are the spacing
in density and distance space for the values in those arrays" in the
explains for potential coeff command . What is the" drho and dr "on
earth and how i can understand?

your answer is appreciated,thanks.

2

I don't know of Sn potentials, but you could search for EAM Sn on
the WWW. We're currently working on a MEAM implementation,
which allows for a greater variety of elements, probably including Sn.

Re: drho and dr - the EAM files list functions tabulated by distance
and density ... dr and drho are the spacings in r and density for the
tabulated values - i.e. the x axis values if you plotted the functionals.

Steve