https://github.com/huangli712/apawlib

Projector Augmented Wave Dataset For Actinides
https://github.com/huangli712/apawlib

actinides dataset projector-augmented-wave pseudopotentials

Last synced: about 1 month ago
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Projector Augmented Wave Dataset For Actinides

• Host: GitHub
• URL: https://github.com/huangli712/apawlib
• Owner: huangli712
• License: gpl-3.0
• Created: 2018-09-18T15:56:21.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2024-04-02T08:01:40.000Z (9 months ago)
• Last Synced: 2024-04-02T11:03:37.123Z (9 months ago)
• Topics: actinides, dataset, projector-augmented-wave, pseudopotentials
• Language: Python
• Homepage:
• Size: 51.1 MB
• Stars: 3
• Watchers: 3
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# APAWlib

The APAWlib project provides some projector augmented wave datasets. These datasets are mainly designed for the actinides. They were generated by using the [**Atompaw**](http://users.wfu.edu/natalie/papers/pwpaw/man.html) code. You can use them along with the [**Abinit**](https://www.abinit.org) and [**Quantum Espresso**](http://www.quantum-espresso.org) codes.

## Version

v0.1.1-devel.24.0401

## License

GNU General Public License Version 3

## Documentation

The reference guide is placed in the `docs` folder.