EAM database tool Xiaowang Zhou (Sandia), xzhou at sandia.gov

based on this paper:

X. W. Zhou, R. A. Johnson, and H. N. G. Wadley, Phys. Rev. B, 69, 144113 (2004).

This tool can be used to create an DYNAMO-formatted EAM setfl file for alloy systems, using any combination of the elements discussed in the paper and listed in the EAM_code file, namely:

Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Fe, Mo, Ta, W, Mg, Co, Ti, Zr

Steps:

1. compile create.f -> a.out (e.g. gfortran create.f)
2. edit the input file EAM.input to list 2 or more desired elements to include
3. a.out < EAM.input will create an EAM *.set file
4. in DYNAMO or LAMMPS lingo, this is a setfl file that can be used with the LAMMPS pair_style eam/alloy command