This repository contains a collection of shell scripts that enable the calculation of U values in VASP using the linear response method. The scripts automate the process of performing linear response calculations and extracting the U values from the resulting data. These scripts are designed to assist researchers and scientists in the field of computational materials science and electronic structure theory.
- Automated calculation of U values using the linear response method in VASP
- Streamlined workflow for performing linear response calculations
- Extraction of U values from the generated data
- Easy-to-use shell scripts for efficient calculations
Contributions to the repository are welcome. If you encounter any issues or have suggestions for improvements, please open an issue or submit a pull request.