Python scripts to manage and postprocess quantum espresso and yambo calculation.

16 stars 23 forks 16 watchers Python GNU General Public License v2.0
1 Open Issue Need Help Last updated: Sep 25, 2025

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AI Summary: This GitHub issue proposes adding an explicit option to the `get_chi` method within `YamboExcitonDB` to enable plotting of polarization-averaged BSE spectra. The suggested implementation involves calling `exciton_dipoles` and then calculating `1/3 * sum(eps_ii(w))` for i=x,y,z, based on user request. This would provide a convenient way to obtain isotropic spectra.

Complexity: 3/5
enhancement good first issue

Python scripts to manage and postprocess quantum espresso and yambo calculation.

Python