/MgO_eph_zpr

Precomputed files for the tutorial on ZPR and temperature-dependent band gaps

Primary LanguagePython

This repository hosts precomputed files for the tutorial on ZPR and temperature-dependent band gaps.

To regenerate the files, make sure AbiPy and Abinit are installed and properly configured. Then execute:

./run_zpr_mgo.py -s

Finally, execute rmfiles.py to remove the files that should not be added to the repo.