phononplotter

phononplotter is a Python tool for plotting phonon band structures and density of states from Phonopy calculations. It provides publication-quality plots with customization options for phonon dispersion visualization.

5. PHONONS 5.1 Harmonic Phonons VERIFIED 3 papers
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Overview

phononplotter is a Python tool for plotting phonon band structures and density of states from Phonopy calculations. It provides publication-quality plots with customization options for phonon dispersion visualization.

Reference Papers (3)

Full Documentation

Official Resources

  • Homepage: https://github.com/warda-rahim/phononplotter
  • Source Repository: https://github.com/warda-rahim/phononplotter
  • License: Open Source

Overview

phononplotter is a Python tool for plotting phonon band structures and density of states from Phonopy calculations. It provides publication-quality plots with customization options for phonon dispersion visualization.

Scientific domain: Phonon visualization, band structure plotting
Target user community: Researchers creating publication-quality phonon plots

Theoretical Methods

  • Phonon dispersion plotting
  • Density of states visualization
  • Band structure comparison
  • Multi-system plotting

Capabilities (CRITICAL)

  • Plot phonon band structures
  • Plot phonon DOS
  • Multiple dispersion comparison
  • Customizable plot styles
  • Phonopy band.yaml support
  • Publication-quality output

Key Strengths

Plotting Quality:

  • Publication-ready figures
  • Customizable styles
  • Clean output
  • Professional appearance

Phonopy Integration:

  • Direct band.yaml support
  • Standard workflow
  • Easy to use
  • Minimal setup

Comparison Features:

  • Multiple dispersions
  • Overlay plots
  • Difference visualization

Inputs & Outputs

  • Input formats:

    • Phonopy band.yaml
    • DOS data files
  • Output data types:

    • PNG/PDF plots
    • Band structure figures
    • DOS plots

Interfaces & Ecosystem

  • Phonopy: Primary data source
  • Matplotlib: Plotting backend
  • Python: Implementation

Advanced Features

Plotting Customization:

  • Line styles and colors
  • Font sizes and families
  • Axis labels and limits
  • Legend positioning
  • Figure size control

Multi-System Comparison:

  • Overlay multiple dispersions
  • Side-by-side plots
  • Difference plots
  • Color-coded systems

Output Formats:

  • PNG for presentations
  • PDF for publications
  • SVG for editing
  • High-resolution options

Band Structure Features:

  • High-symmetry path labels
  • Frequency range selection
  • Grid customization
  • Annotation support

Performance Characteristics

  • Speed: Fast plotting (seconds)
  • Memory: Minimal (<100 MB)
  • File handling: Efficient band.yaml parsing
  • Output quality: Publication-ready

Computational Cost

  • Parsing: Negligible
  • Plotting: Fast (seconds)
  • Export: Near-instantaneous
  • Overall: Very lightweight

Best Practices

Plot Quality:

  • Use vector formats (PDF/SVG) for publications
  • Choose appropriate DPI for raster images
  • Ensure readable font sizes
  • Use color-blind friendly palettes

Comparison Plots:

  • Align frequency ranges
  • Use consistent styling
  • Label systems clearly
  • Include legends

Limitations & Known Constraints

  • Phonopy-specific
  • Plotting only
  • Limited analysis features
  • Basic customization

Comparison with Other Codes

  • vs sumo: phononplotter is simpler; sumo has more features
  • vs Phonopy built-in: More customization options
  • Unique strength: Simple, focused phonon plotting tool

Application Areas

  • Publication figures
  • Phonon dispersion visualization
  • DOS plotting
  • Multi-system comparison
  • Presentation slides
  • Thesis figures

Community and Support

  • License: Open source
  • Development: GitHub repository
  • Documentation: README with examples
  • Support: GitHub issues
  • User base: Phonopy users
  • Focus: Simple, focused plotting tool

Verification & Sources

Primary sources:

  1. GitHub: https://github.com/warda-rahim/phononplotter

Confidence: VERIFIED

Verification status: ✅ VERIFIED

  • Source code: OPEN (GitHub)

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