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

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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 file for details.

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

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  • Python 99.3%
  • Shell 0.7%