aimstools

Official Resources

• FHI-aims: https://fhi-aims.org/
• Target Code: FHI-aims

Overview

aimstools is a Python package for analyzing and visualizing FHI-aims calculation results, providing utilities for post-processing electronic structure data.

Scientific domain: FHI-aims post-processing Target user community: FHI-aims users

Capabilities (CRITICAL)

• Band Structure: Electronic band analysis
• DOS: Density of states processing
• Structure: Geometry manipulation
• Output Parsing: FHI-aims output file reading

Key Strengths

• FHI-aims native support
• Python scripting interface
• Visualization utilities

Inputs & Outputs

• Input formats: FHI-aims output files (aims.out, geometry.in)
• Output data types: Processed data, plots

Limitations & Known Constraints

• FHI-aims specific: Only processes FHI-aims calculations
• Documentation: May have limited documentation
• FHI-aims license: FHI-aims code requires license

Comparison with Other Tools

• vs aims_DosBand: Similar scope for FHI-aims users
• vs pymatgen: aimstools FHI-aims specific, pymatgen multi-code
• Unique strength: Python utilities for FHI-aims analysis

Verification & Sources

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Target Code: FHI-aims