cp2k-output-tools

Official Resources

• GitHub: https://github.com/cp2k/cp2k-output-tools
• PyPI: https://pypi.org/project/cp2k-output-tools/
• License: MIT License

Overview

cp2k-output-tools is the official CP2K post-processing utilities package providing tools for band structure, DOS, and other property analysis from CP2K calculations.

Scientific domain: CP2K post-processing, electronic structure Target user community: CP2K users

Capabilities (CRITICAL)

• Band Structure: Electronic band plotting
• DOS: Density of states analysis
• Output Parsing: CP2K output file reading
• Property Extraction: Energy, forces, etc.

Key Strengths

• Official CP2K tool
• Comprehensive output parsing
• Python scripting interface
• Active development

Inputs & Outputs

• Input formats: CP2K output files
• Output data types: Processed data, plots

Installation

pip install cp2k-output-tools

Verification & Sources

Confidence: VERIFIED - Official CP2K tool

Verification status: ✅ VERIFIED

• Source code: OPEN (GitHub, MIT)
• Developer: CP2K team