Repository navigation

Updates to the routines for occupancy - #470

Merged

davidbowler merged 9 commits into

f-update-occupancies

Aug 21, 2026

Merged

Updates to the routines for occupancy#470
davidbowler merged 9 commits into
developfrom
f-update-occupancies

Commits on Jul 14, 2026
- Updates to occupancy calculations
  davidbowler
  committed
  2239f94
Commits on Jul 31, 2026
- Tidied output and added documentation
  davidbowler
  committed
  34687ac
- Update to account for degenerate levels
  davidbowler
  committed
  78559c2
Commits on Aug 5, 2026
- Updated occupancies and post-processing
  davidbowler
  committed
  bc89e3e
Commits on Aug 6, 2026
- Update to documentation to describe gap output
  davidbowler
  committed
  f7bc386
Commits on Aug 20, 2026
- Tweaks to Methfessel-Paxton
  davidbowler
  committed
  8d7f3a9
- Further tweaks to MP format
  davidbowler
  committed
  f7e39ca
- Bug fix: use tolElec when deciding on VBM vs CBM
  davidbowler
  committed
  4f60849
- Added flag to allow Fermi level adjustment to be turned off
  davidbowler
  committed
  c8e90c0