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Nicolas Tancogne-Dejean requested to merge fix_dftu_max_n into hotfix-11.2 Oct 14, 2021

Description

The code wrongly assumed that the maximum principal quantum number was 5. This is now fixed.

News snippet

Bugfix for DFT+U for elements having a principal quantum number larger than 5.

Checklist

I have checked that my code follows the Octopus coding standards
I have added tests for all the new features added in this request.

Edited Oct 14, 2021 by Nicolas Tancogne-Dejean