VASP Elastic Tensor Workflow

📌 Description

This repository provides scripts for performing elastic tensor calculations using VASP. It includes:

• Generation of strained structures for elastic property evaluation
• A VASP job submission script
• A parser for extracting elastic constants from output files

The scripts are simple and modular, intended for academic use in materials science projects focused on mechanical properties.

📂 Files

• create_task.py – Generate input files for different strain configurations
• vasp_qsub_elast – Submission script for running VASP jobs on a computing cluster
• Read_OUT.py – Parse VASP output files to extract the elastic tensor

🚀 Usage

1. Run create_task.py to generate strain-deformed structures.
2. Submit jobs using vasp_qsub_elast.
3. After VASP calculations, run Read_OUT.py to extract the elastic constants.

📄 License

For academic research use. Provided without warranty.