https://github.com/danielyang59/dft_utility_scripts

Collection of Handy Scripts for Density Functional Theory (DFT) Calculations (mostly for VASP).
https://github.com/danielyang59/dft_utility_scripts

density-functional-theory dft vasp

Last synced: 4 months ago
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Collection of Handy Scripts for Density Functional Theory (DFT) Calculations (mostly for VASP).

• Host: GitHub
• URL: https://github.com/danielyang59/dft_utility_scripts
• Owner: DanielYang59
• License: apache-2.0
• Created: 2023-09-04T03:56:48.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-01-01T12:04:12.000Z (over 1 year ago)
• Last Synced: 2025-02-01T11:11:12.242Z (4 months ago)
• Topics: density-functional-theory, dft, vasp
• Language: Python
• Homepage:
• Size: 1.34 MB
• Stars: 6
• Watchers: 1
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# DFT Utility Scripts

Collection of Handy Scripts for Density Functional Theory (DFT) Calculations, mainly for VASP.

## ⚠️ Project would be refactored ⚠️

**This repo is being refactored and would be merged to another repo...coming soon.**

# Contributing to the Project

We welcome contributions from everyone, whether you are an experienced developer or just getting started.

## License

This project is licensed under the Apache License 2.0 - see the [LICENSE](LICENSE) file for details.