Installation & Setup

📓 Learn how to install COGITO and set up your environment

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What You’ll Learn

• Package Installation: Install all required Python dependencies
• COGITO Setup: Set up the COGITO environment
• VASP File Requirements: Understand what VASP outputs you need
• Basic Configuration: Get ready for your first COGITO analysis

Quick Start Summary

After installation, you’ll be able to run:

from COGITOmain import COGITO

# Initialize with your VASP calculation directory
direct = "path/to/your/vasp/calculation/"
COGITOmodel = COGITO(direct)

# Generate the tight binding model
COGITOmodel.generate_TBmodel(verbose=0, plot_orbs=True)

Next Steps

• Basic Analysis - Learn core COGITO analysis workflows
• Advanced Features - Explore bonding analysis and visualization