GPAW
  • Features and algorithms
  • Installation
  • Documentation
    • Basic usage
      • Introduction
      • Parallel runs
      • Convergence Issues
      • Restart files
      • "New GPAW"
    • Advanced topics
    • Theory
    • Introduction to GPAW internals
    • Command line interface
    • GPU
    • The gpaw.gpu module
    • Fake cupy library
    • CuPy enabled container objects
    • Building GPAW with MAGMA support
    • Utilities
    • Electron localisation function (ELF)
    • Reports, presentations, and theses using gpaw
  • Tutorials and exercises
  • Atomic PAW Setups
  • Release notes
  • Gallery
  • Contact
  • Frequently Asked Questions
  • Development
  • Benchmarks
  • Summer schools
  • Workshops
  • Bugs!
  • Roadmap
GPAW
index | modules | gitlab | page source

Basic usage

  • Introduction
  • Parallel runs
  • Convergence Issues
  • Restart files
  • "New GPAW"
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