project-2

Here are the input files and psudopotentials of the calculations on Quantum Espresso, Phonopy and Phono3py.

The structure may be a little bit different than in the origianl paper, but it should not be difficult to find the corresponding project according to the title of the folder.

Software version list which was used on the calculations:

1. Quantum ESPRESSO v.7.0
2. Phonopy v. 2.15.1
3. Phono3py v.2.3.2
4. EPW v.5.5