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- Gaussian broadening added. In the CLI, this stacks with Lorentzian
broadening. Specified as a FWHM.
- Text file output
- Support for PDOS plotting
- Read vasprun.xml files using Pymatgen
- XPS simulation tools; x-axis flipping and PDOS contributions weighted
by cross-section.
- Documentation including tutorials, hosted at http://galore.readthedocs.io/en/latest/
- Fancy formatting of units
- Support for files from `David Karhanek's IR analysis script <http://homepage.univie.ac.at/david.karhanek/downloads.html#Entry02>`__
and the `raman-sc program <https://github.com/raman-sc/VASP>`__ for simulated optical spectra.
- Source repository made public
- Python API refactored for cleaner scripts