Skip to content

Update UPF files with QE71 style D channel description#103

Closed
prckent wants to merge 1 commit into
mainfrom
QE71_style
Closed

Update UPF files with QE71 style D channel description#103
prckent wants to merge 1 commit into
mainfrom
QE71_style

Conversation

@prckent

@prckent prckent commented Apr 1, 2024

Copy link
Copy Markdown
Contributor

Result of find . -name "*.upf" -exec sed -ibak "s/ D 2 /3D 2 /g" {} \;

Closes #89

@prckent

prckent commented Apr 2, 2024

Copy link
Copy Markdown
Contributor Author

Probably won't merge since more updates are needed in general.

@prckent

prckent commented Apr 24, 2024

Copy link
Copy Markdown
Contributor Author

Will be tackled by #105

@prckent prckent closed this Apr 24, 2024
@prckent
prckent deleted the QE71_style branch April 24, 2024 14:06
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.

Naming convention error for DFT+U calculations in QE 7.1 for Fe.ccecp-soft.upf

1 participant