COGITO

Crystal Orbital Guided Iteration To atomic-Orbitals - Quantum chemistry from plane wave DFT

COGITO Examples

Interactive Jupyter notebook examples demonstrating COGITO’s capabilities. All examples are based on the comprehensive COGITO tutorial notebook.

Installation & Setup

Get started with COGITO installation and environment setup

Getting Started Dependencies

Basic Analysis

Core COGITO workflows: verification, band structure, and validation

Band Structure Verification

Advanced Features

COHP analysis, bonding visualization, and crystal chemistry

COHP 3D Visualization Bonding

Getting Started

  1. Download examples from the COGITO repository
  2. Install dependencies using the installation guide
  3. Run notebooks in your local Jupyter environment
💡 Tip: All examples are designed to work with the sample data included in the COGITO repository.