MEAM potential for Au

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1

Can anyone tell me where I can find meam potential file for Au? I searched in lammps mailing list and somebody suggested to find in paper but unfortunately I could not able to find that paper.

Thanks!

2

The library.meam file in the potentials dir has
default values for Au (and many other elements).
Have you tried those?

Steve

3

Hi Steve,

Thanks a lot for the reply!

I used this library.meam but it shows error “Invalid pair style”

here is my input file

units metal

atom_style atomic
boundary p p p

read_data nanorod1

pair_style meam
pair_coeff * * library.meam Au NULL Au

optimize box size

fix 1 all box/relax aniso 0.0 vmax 0.001

output of structures

dump 1 all xyz 100000 dump.pdef

frequency of energy… output + kind of output

thermo_style custom step pe press lx ly lz
thermo 1000

Minimize

minimize 0.0 1.0e-8 1000000 100000000

Thanks!

4

Hi Steve,

Thanks a lot for the reply!

I used this library.meam but it shows error “Invalid pair style”

That error message is not related to parameters but indicates, that your lammps binary does not have support for meam installed.