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@bastonero bastonero released this 26 Jul 15:39
· 33 commits to main since this release
v1.0.1
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Learn about vigilant mode.

The first official release of the code is provided with stable workflows, post-processing and visualization tools.
This release comes with many features. In particular, user will be able to:

  1. Compute infrared and Raman spectra ab-initio with the use of any functional
  2. Compute phonons in the harmonic approximation accounting for the LO-TO splitting with the use of any functional
  3. Post-process the data to obtain single-crystal and powder IR/Raman spectra and phonons related properties (see also aiida-phonopy).

The complete documentation is available as well, provided with tutorials, how-tos and more.

The code is free-to-use for academic purposes, while in other cases (e.g. commercial use) please read the LICENSE.txt and/or contact us (lbastone@uni-bremen.de, bastonero.lorenzo@gmail.com).

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