Skip to content

Bugfix: f orbitals in the oct_ylm routine.

Nicolas Tancogne-Dejean requested to merge fix_f_orbitals into hotfix-10.4

Description

Add the missing support of f electrons in the ylmr routine. This affect LCAO and DFT+U parts of the code.

News snippet

Add the missing support of f electrons in the ylmr routine.

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.
Edited by Nicolas Tancogne-Dejean

Merge request reports

Loading