GPAW
  • Features and algorithms
  • Installation
  • Documentation
    • Basic usage
    • Advanced topics
    • Theory
    • Introduction to GPAW internals
    • Reading GPAW’s log-file
    • Command line interface
    • GPU
    • The gpaw.gpu module
    • Fake cupy library
    • CuPy enabled container objects
    • Building GPAW with MAGMA support
    • Utilities
    • Electron localization function (ELF)
    • Reports, presentations, and theses using gpaw
  • Tutorials and exercises
  • Atomic PAW Setups
  • Release notes
  • Gallery
  • GPAW ecosystem
  • Contact
  • Frequently Asked Questions
  • Development
  • Perfomance index benchmarks
  • Summer schools
  • Workshops
  • Bugs!
  • Roadmap
GPAW
index | modules | gitlab | page source

Documentation

  • Basic usage
  • Advanced topics
  • Theory
  • Introduction to GPAW internals
  • Reading GPAW’s log-file
  • Command line interface
  • GPU
  • The gpaw.gpu module
  • Fake cupy library
  • CuPy enabled container objects
  • Building GPAW with MAGMA support
  • Utilities
  • Electron localization function (ELF)
  • Reports, presentations, and theses using gpaw
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