aims_DosBand

Official Resources

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

Overview

aims_DosBand is a plotting tool for band structures and density of states from FHI-aims calculations, providing publication-quality figures with orbital projections.

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

Capabilities (CRITICAL)

• Band Structure: Electronic band plotting along k-paths
• DOS/PDOS: Total and projected density of states
• Fatbands: Orbital-projected band structures
• Spin-Polarized: Support for magnetic calculations

Key Strengths

• Native FHI-aims support
• Publication-quality figures
• Orbital projections
• Spin-resolved plotting

Inputs & Outputs

• Input formats: FHI-aims output files (band*.out, KS_DOS*.dat)
• Output data types: Matplotlib figures

Limitations & Known Constraints

• FHI-aims specific: Only processes FHI-aims output
• File formats: Requires specific FHI-aims output files
• FHI-aims license: FHI-aims code requires academic/commercial license

Comparison with Other Tools

• vs aimstools: Similar scope, different implementations
• vs sumo: aims_DosBand FHI-aims native, sumo multi-code
• Unique strength: Native FHI-aims band/DOS visualization

Verification & Sources

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Target Code: FHI-aims