Mendelev potential with spin package

LAMMPS LAMMPS Mailing List Mirror
1

Hello guys,

I´m simulating bcc Fe using the spin package with the Mishin potential (since is the one in the examples). I was wondering if I can use Mendelev potential instead? Is there any modifications that has to be done? thanks

2

This is a question best directed at the author of the package (cc’d). axel.

3

Hi,

Axel, thanks for cc’ing me the message.

Sure, you can combine the pair/spin interactions to any relevant mechanical potential. It does not even have to be an eam potential.

I just randomly chose the Mishin potential to set up an example.

Thank you,

Julien.

4

Thanks a lot! Best regards