The 17.0 major release is coming on May 16, 2024! This version brings many exciting improvements to GitLab, but also removes some deprecated features. We are introducing three breaking change windows during which we expect breaking changes to be deployed to GitLab.com. You can read more about it on our blogpost. The third breaking change window begins 2024-05-06 09:00 UTC and ends 2024-05-08 22:00 UTC.
Fix the computation of the compensation charge energy based on custom UPF pseudopotentials with non-uniform grids, which was pointed out and discussed in #411.
Additionally, tweak some parsing and assertions to allow reading of the UPF files based on the latest Quantum Espresso 6.8.