VASP-DOS_extractor

Official Resources

• GitHub: https://github.com/shin-materials/VASP-DOS_extractor
• License: MIT License

Overview

VASP-DOS_extractor is a pymatgen-based DOS extractor from vasprun.xml, providing a modern replacement for p4vasp DOS extraction functionality with Python scripting capabilities.

Scientific domain: VASP DOS extraction, electronic structure Target user community: VASP users needing DOS data extraction

Capabilities (CRITICAL)

• DOS Extraction: Extract DOS from vasprun.xml
• PDOS: Projected density of states
• Orbital Resolution: s, p, d, f orbital contributions
• Element-Resolved: Per-element DOS
• Export: Multiple output formats

Key Strengths

• pymatgen-based (modern, maintained)
• Replaces p4vasp for DOS extraction
• Python scripting interface
• Clean data output

Inputs & Outputs

• Input formats: vasprun.xml
• Output data types: DOS data files, CSV, JSON

Installation

pip install pymatgen
# Clone from GitHub for scripts

Verification & Sources

Confidence: VERIFIED

Verification status: ✅ VERIFIED

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