Anton Kozhevnikov

In [that article](https://nvie.com/posts/a-successful-git-branching-model/) everything is reasonable except for the marginal difference between `develop` and `release` branches. They are really identical because whatever you add to the `release` branch, you immediately...

bors try

again!?!? I will have a look. In spack ELPA-2021.11.001 is still the latest one, that's why we didn't capture it before.

This will fix the problem https://github.com/electronic-structure/SIRIUS/pull/775 Todo: - [ ] @Eddie123e If I tag pre-release of sirius/7.3.3 from this branch, would that help? - [x] Add ELPA-2022.05.001 to spack repo...

Waiting for https://github.com/spack/spack/pull/33439 to be merged.

This small difference is ok. The GGA XC implementation is slighlty different between QE and LibXC. Whas is important is that forces and stress are similar.

The only explanation is that mpi_grid_dims != [1,1] (possible values could be [2,2], [1,4] or [4,1]) and execution is requested on 1 MPI rank. So you are basically asking for...

@simonpintarelli please have a look at the comment about `has_augmented_atom()`. Otherwise it's good to go

We have all the functionality to load UPF files (set radial grid, beta projectors, augmentation operator, wave-functions, D_ion) programmaticaly. If you have UPF parser, this is a good simplification. We...

It's the convergence issue. Result match better once the number of plane-waves is increased and scf_correction is switched off.