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

Antimony (Sb) pseudo #102

Open
gorelov93 opened this issue Mar 26, 2024 · 1 comment
Open

Antimony (Sb) pseudo #102

gorelov93 opened this issue Mar 26, 2024 · 1 comment

Comments

@gorelov93
Copy link

Dear developers,

Is there a plan to add a ccECP pseudo for antimony (if possible with 15 electrons)?
Or is there a particular problem with Sb?

Thanks
Best,
Vitaly

@bkincaid256
Copy link
Contributor

bkincaid256 commented Mar 27, 2024

Hello,

We currently are working on developing a ccECP for Sb. We only plan on making one with a 5 electron valence space at this time, but if there is enough demand in the future we might add one. Is there a particular reason you want the d-shell in the valence?

Cheers,

Ben

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

No branches or pull requests

2 participants