compatibility with Quantum Espresso

SMTG-Bham / easyunfold

Band structure unfolding made easy!

https://smtg-bham.github.io/easyunfold/

MIT License

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compatibility with Quantum Espresso #50

Closed aktariitkgp closed 2 months ago

aktariitkgp commented 2 months ago

Please make it compatible for Quantum espresso for band unfolding

kavanase commented 2 months ago

Hi aktariitkgp, neither of the main developers are familiar users of Quantum Espresso so there is no plan on our end to add compatibility in the near future. The unfolding code is all agnostic of the underlying energy calculation software, so the only issue would be the parsing. If you were interested in this you could open a pull request and I can aid you in getting it merged to the code!