Optimize nanoclusters using the Gupta Potential with these supported atom combinations: Fe-Fe, Fe-Co, Fe-Ni, Co-Co, Co-Fe, Co-Ni, Ni-Ni, Ni-Fe, Ni-Co, Pd-Pd, Pd-Pt, Pt-Pt, Pt-Pd.
Accepted file format is .xyz. You can optimize any number of atoms in a group, such as Fe-Co-Ni, Fe-Ni, or just Fe, or Pd-Pt or just Pt. However, combinations not listed above, like Pd-Ni or Pt-Co, are not supported.
For questions or support, please send an email to earturordr@outlook.com.