Minor bugfixs for DFT+U
Description
Minor bugfixs for DFT+U:
- The value of iorb was not properly recomputed.
- Fix an array that could lead to out-of-bound exception.
- In the case of having more than 20 orbitals, the code would fail because the code only can write 20 lines of messages.
News snippet
Minor bugfixs for DFT+U
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.