Skip to content

Bugfix: Fix the occupation in the calculation of perturbations.

Description

Add the missing occupation number in the calculation of perturbations.

This fixes in particular the calculation of the output of angular momentum as soon as unoccupied state of charged system where used.

This probably affects other calculations too.

News snippet

Bugfix for TDOuput=angular

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.

Merge request reports

Loading