ASE2SPRKKR

Contents

  • How to use the package
  • More about the package installation
  • Philosophy of the package (for developers)
  • Changelog
  • Hastily written ASE2SPRKKR slides

Links

  • ASE2SPRKKR homepage
  • ASE - atomic simulation environment
  • SPR-KKR
  • GitHub repository
  • PyPI package
  • SPR-KKR manual

Class documentation

  • ase2sprkkr
    • bindings
      • xband
        • symmetry
        • spheres
        • tests
      • empty_spheres
      • es_finder
      • spglib
      • tests
    • version
    • config
    • sprkkr
    • tools
    • input_parameters
    • outputs
    • potentials
    • physics
    • ase
    • asr
    • visualise
    • output_files
    • common
ASE2SPRKKR
  • ase2sprkkr
  • bindings
  • xband
  • View page source

xband

Full name: ase2sprkkr.bindings.xband

Description

Modules

ase2sprkkr.bindings.xband.symmetry

ase2sprkkr.bindings.xband.spheres

ase2sprkkr.bindings.xband.tests

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© Copyright 2021, Matyáš Novák & Jano Minár.

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