AiiDA plugin that uses finite displacements and fields to compute phonon properties, dielectric and Born effective charges tensors, Infrared and Raman spectra.
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 .
The aiida-vibroscopy
plugin package is released under a special academic license.
See the LICENSE.txt
file for more details.
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.