dispersion.py

Official Resources

• GitHub: https://github.com/zachary-hawk/dispersion.py
• License: MIT License

Overview

dispersion.py is a CASTEP band structure and DOS plotting toolkit that works with CASTEP and OptaDOS output files, providing publication-quality electronic structure visualization.

Scientific domain: CASTEP post-processing, electronic structure visualization Target user community: CASTEP users

Capabilities (CRITICAL)

• Band Structure: Electronic band plotting from CASTEP
• DOS: Density of states visualization
• OptaDOS Integration: Works with OptaDOS output
• Publication Quality: High-quality matplotlib figures

Key Strengths

• CASTEP native support
• OptaDOS integration
• Python scripting interface
• Publication-ready figures

Inputs & Outputs

• Input formats: CASTEP band files, OptaDOS output
• Output data types: Matplotlib figures

Installation

pip install dispersion.py

Verification & Sources

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Source code: OPEN (GitHub, MIT)
• Target Code: CASTEP, OptaDOS