Skip to content

Hotfix divergence nonorthogonal

Description

The divergence was not correctly calculated, making GGA and MGGA calculations not correct for non-orthogonal cells.

News snippet

The divergence was not correctly calculated, making GGA and MGGA calculations not correct for non-orthogonal cells.

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