GITHUB_RELEASE.md

v1.0.0: Published Research Implementation

🎉 Initial Public Release

Gutzwiller-DFT Method - High-performance implementation of LDA+Gutzwiller with Newton's optimization for strongly correlated electron systems.

📊 Based on Published Research

Published in Chinese Physics B (2017)
DOI: 10.1088/1674-1056/26/1/017103

🚀 Key Features

• 6× faster convergence with Newton's method optimization
• MPI parallelization for high-performance computing
• Validated on real materials: SrVO₃, LaCoO₃, La₂O₃Fe₂Se₂
• Complete documentation and ready-to-run examples

🔧 What's New

• Full Fortran 2008/2015 implementation
• Modern CMake build system
• Comprehensive test suite
• Professional documentation
• Automated installation script

📈 Performance

• 2.5-5× faster than traditional methods
• 70% parallel efficiency at 64 cores
• Solves previously intractable systems

🏗️ Quick Start

git clone https://github.com/thomaszhang2661/gutzwiller-dft-method.git
cd gutzwiller-dft-method
./install.sh

📚 Documentation

• Theory Background
• Installation Guide
• API Reference
• Benchmark Results

📖 Citation

@article{zhang2017implementation,
  title={Implementation of LDA+Gutzwiller with Newton's method},
  author={Zhang, Jian and Tian, Ming-Feng and Jin, Guang-Xi and Xu, Yuan-Feng and Dai, Xi},
  journal={Chinese Physics B},
  volume={26}, number={1}, pages={017103}, year={2017},
  doi={10.1088/1674-1056/26/1/017103}
}

This release provides the computational physics community with a validated, production-ready tool for studying strongly correlated materials.