About eam/alloy potential definition.

Hi, everyone,

I have a problem about eam/alloy needing your help.

In my simulations, all of the atoms are Cu. However, I have divided them into two types (type 1 and type 2) for some reason.

My definition of eam/alloy potential is as follow:

pair_style eam/alloy
pair_coeff 1 1 Cu_mishin1.eam.alloy Cu
pair_coeff 1 2 Cu_mishin1.eam.alloy Cu
pair_coeff 2 2 Cu_mishin1.eam.alloy Cu

However, there are some errors in running.

What should be the correct definition in such case?

Could anyone help me?

Thank you.

Just use

pair_coeff * * Cu...alloy Cu Cu

See the eam/alloy doc page for details.
Are you sure the mishin file only has Cu in
it - if so why is it an alloy-format file?

Steve