Improvements to the `TDOuput = n_excited_el` option
Description
Improvements to the TDOuput = n_excited_el
option:
- When we compute the number of electrons not in valence bands of the GS basis, we only need the occupied states.
- There is no need to do a reduction for the occ array, as it is shared by all tasks.
News snippet
Improvements to the TDOuput = n_excited_el
option.
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.