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.

Sign up for GitHub

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

Jump to bottom

Recipes to improve convergence #4

Open
jtkrogel opened this issue Feb 3, 2022 · 0 comments
Open

Recipes to improve convergence #4

jtkrogel opened this issue Feb 3, 2022 · 0 comments

Comments

@jtkrogel
Copy link
Contributor

jtkrogel commented Feb 3, 2022

This issue is for discussion of recipes to improve convergence (helpful parameters to reduce the number of SCF cycles, specific flags for particular system types, advisable defaults, etc).

The goal is to produce a recipe/procedure that will work well for many systems of interest.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@jtkrogel