QEPlotter

Official Resources

• GitHub: https://github.com/romerogroup/QEPlotter
• Compatible with: Quantum ESPRESSO 5.4.0+
• License: MIT License

Overview

QEPlotter is a Quantum ESPRESSO band structure, DOS/PDOS, and fatband plotting toolkit with automated band gap detection. It provides both command-line and GUI interfaces for easy visualization of QE calculation results.

Scientific domain: Quantum ESPRESSO post-processing, electronic structure visualization Target user community: Quantum ESPRESSO users needing quick visualization

Capabilities (CRITICAL)

• Band Structure: Electronic band plotting with high-symmetry paths
• DOS/PDOS: Density of states visualization
• Fatbands: Orbital-projected band structures
• Band Gap Detection: Automated direct/indirect gap identification
• Spin-Polarized: Support for magnetic calculations

Key Strengths

• GUI interface for easy use
• Automated band gap detection
• Publication-ready figures
• Quantum ESPRESSO native support

Inputs & Outputs

• Input formats: QE output files (bands.dat, dos.dat, pdos files)
• Output data types: Matplotlib figures, data files

Installation

git clone https://github.com/romerogroup/QEPlotter.git
cd QEPlotter
pip install -e .

Limitations & Known Constraints

• QE-specific: Only works with Quantum ESPRESSO outputs
• Version compatibility: Best with QE 5.4.0+
• Dependencies: Requires matplotlib, numpy

Comparison with Other Tools

• vs postqe: QEPlotter GUI-focused, postqe Python API
• vs abipy: QEPlotter for QE, abipy for ABINIT
• vs sumo: QEPlotter QE-native, sumo multi-code via pymatgen
• Unique strength: GUI interface, automated band gap detection

Verification & Sources

Confidence: VERIFIED

Verification status: ✅ VERIFIED

• Target Code: Quantum ESPRESSO