To run the .ipynb:
- Unzip the .zip file (POSCAR files and .mat databases)
- Create the following repositories where the code is run (e.g. for Pd-Ni-H):
- Generated_POSCAR_files
- -->Pd-Ni
- ---->Pseudobinary_data
- -------->Ni_poscars
- -------->Pd_poscars
- ---->Ternary_data
- -------->Ni-Pd_poscars
- -------->Pd-Ni_poscars