Custom Potentials?

GULP
1

Hi,

I’m a masters student at Oxford looking at disordered lattice dynamics in alpha-AgI and wondering if it is possible to define a custom potenital in GULP or if the library of potentials is the only possible option.

2

Hi Theo,

With GULP you can create or fit your own potentials, manually input existing ones, or use the libraries.

Regards,

Julian