SIESTA Scripts Collection

A set of helpful shell scripts for working with SIESTA simulations, designed to simplify data extraction and installation.

---

Available Scripts

1. spin_moment.sh

Extracts spin moments from SIESTA output files and organizes them into a clean data file.

Features

• Supports multiple output files
• Automatically formats extracted data
• Generates a ready-to-use .dat file

How to Run

# Step 1: Define your data range (if using multiple outputs)

# Step 2: Run the script
sh spin_moment.sh

Output

• A file named spin_moment.dat

  • Column 1: Data range
  • Column 2: Spin moment values

---

2. install_siesta.sh

Automates the installation of SIESTA along with all required libraries in parallel mode.

Features

• Installs dependencies automatically
• Supports parallel compilation
• Saves time on manual setup

How to Run

# Make the script executable
chmod +x install_siesta.sh

# Run the installer
./install_siesta.sh

Author

Narender Kumar 📧 Email: bansalnarender25@gmail.com

Contributing

Contributions are welcome!

1. Fork the repository
2. Create a new branch
3. Submit a pull request

---

License

This project is licensed under the MIT License.