Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

PhononWorkChain: smearing for magnetic metals #22

Merged
merged 1 commit into from
Jul 5, 2023
Merged

Conversation

bastonero
Copy link
Owner

When the system was detected as metallic, a fixed
occupations was set. This produces bad results for metals, where smearing should be used.

When the system was detected as metallic, a fixed
occupations was set. This produces bad results for
metals, where `smearing` should be used.
@bastonero bastonero merged commit 2d33775 into main Jul 5, 2023
4 checks passed
@bastonero bastonero deleted the fix/phonons/base branch July 5, 2023 13:02
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant