Skip to content

Use the fixed occupations after restarting only if all states are found

Description

This means that smearing will be used to determine the occupations if the restart does not happen from exactly the same states (and k points) as inferred from the input file.

This improves on setting RestartFixedOccupations = yes by default.

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