aiida-vibroscopy

AiiDA plugin that uses finite displacements and fields to compute phonon properties, dielectric and Born effective charges tensors, Infrared and Raman spectra.

Installation

To install from PyPI, simply execute:

pip install aiida-vibroscopy

or when installing from source:

git clone https://github.com/bastonero/aiida-vibrosopy
pip install .

License

The aiida-vibroscopy plugin package is released under a special academic license. See the LICENSE.txt file for more details.

Acknowlegements

We acknowledge support from:

• the U Bremen Excellence Chairs program funded within the scope of the Excellence Strategy of Germany’s federal and state governments;
• the MAPEX Center for Materials and Processes.