OrbVis

OrbVis is a lightweight Python package for plotting orbital-projected band structures and density of states from VASP output files (PROCAR & DOSCAR).

8. POST-PROCESSING 8.1 Band Structure & Electronic Analysis VERIFIED
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Overview

OrbVis is a lightweight Python package for plotting orbital-projected band structures and density of states from VASP output files (PROCAR & DOSCAR).

Reference Papers

Reference papers are not yet linked for this code.

Full Documentation

Official Resources

  • GitHub: https://github.com/staradutt/OrbVis
  • PyPI: https://pypi.org/project/orbvis/
  • License: MIT License

Overview

OrbVis is a lightweight Python package for plotting orbital-projected band structures and density of states from VASP output files (PROCAR & DOSCAR).

Scientific domain: VASP visualization, orbital projections Target user community: VASP users needing quick orbital analysis

Capabilities (CRITICAL)

  • Orbital-Projected Bands: s, p, d, f orbital contributions
  • Atom-Projected Bands: Element-specific band character
  • DOS/PDOS: Orbital-resolved density of states
  • Fatbands: Band width proportional to orbital character

Key Strengths

  • Lightweight and fast
  • Easy-to-use API
  • Publication-ready figures
  • Customizable color schemes

Inputs & Outputs

  • Input formats: PROCAR, DOSCAR, EIGENVAL
  • Output data types: Matplotlib figures

Installation

pip install orbvis

Limitations & Known Constraints

  • VASP-specific: Only works with VASP output files
  • PROCAR required: Needs PROCAR file for orbital projections
  • Limited features: Focused tool, less comprehensive than pyprocar

Comparison with Other Tools

  • vs pyprocar: OrbVis simpler, pyprocar more comprehensive
  • vs vaspvis: Similar capabilities, different API styles
  • vs sumo: OrbVis VASP-only, sumo more general
  • Unique strength: Lightweight, easy-to-use orbital projection plotting

Verification & Sources

Confidence: VERIFIED

Verification status: ✅ VERIFIED

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

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