Description

These are fixes for bug revealed in !2843 .

Some bugfixes are included in the merge request:

Fix the debug of LCAO alternative with k-points.
LCAO is not performed is no orbitals are available
The actinides were missing in the ps_guess_occupation routine.

News snippet

Minor bugfixes for LCAOStart = lca_states_batch

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 Mar 24, 2025 by Nicolas Tancogne-Dejean