DMFTwDFT3 released with major updates

[Uthpala Herath]

Dear DMFTwDFT Users,

I hope you’re doing well.

After a long hiatus, we're excited to share a major update to DMFTwDFT.

Over the past several months, we have modernized the codebase to make it significantly easier to install, maintain, and use on contemporary computing platforms. The largest change is the migration from the legacy Python 2 codebase to Python 3, along with updates to dependencies, build tooling, examples, and documentation.

Some highlights include:

• Full migration to Python 3
• Support for latest version of eDMFT
• Updated installation and dependency management
• Improved documentation and tutorials
• Refreshed example calculations
• Better compatibility with modern Linux distributions (Intel oneAPI),, and Apple Silicon Macs

Our hope is that these updates lower the barrier to performing DFT+DMFT calculations and make DMFTwDFT more accessible to both new and existing users studying strongly correlated materials.

You can find the updated project here:

GitHub: https://github.com/dmftwdft/DMFTwDFT3

Documentation: https://dmftwdft.github.io/DMFTwDFT3

If you encounter bugs, have suggestions for improvements, or would like to contribute, please don’t hesitate to open an issue or submit a pull request on GitHub, or just reach out to us via email. Feedback from the community is always welcome and helps make the project better.

Thank you for your continued interest in DMFTwDFT. We hope you find the updated framework useful, and I look forward to hearing about your experiences and the research you accomplish with it.

Best regards,

Uthpala on behalf of the DMFTwDFT Team