Revisit the iterative KS inversion
Description
The eigensolver was only called once, leading to very bad convergences, making the inversion procedure absolutely unusable. The asymptotics was not properly done.
This commits also does the following:
- Add OpenMP support
- Refactor and rename variables for more readability
News snippet
Revisit the iterative KS inversion and make in order to make it reliable.
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.