aiida-kkr
0.1
  • User’s guide
  • Modules provided with aiida-kkr (API reference)
    • Calculations
    • Workflows
    • Calculation parsers
    • Tools
aiida-kkr
  • Docs »
  • Modules provided with aiida-kkr (API reference)

Modules provided with aiida-kkr (API reference)¶

  • Calculations
    • Voronoi
    • KKRcode
    • KKRcode - calculation importer
    • KKRimp
  • Workflows
    • Generate KKR start potential
    • KKR scf cycle
    • Density of states
    • Equation of states
    • Check KKR parameter convergence
    • Find magnetic ground state
  • Calculation parsers
    • Voronoi Parser
    • KKRcode Parser
    • KKRcode - calculation importer Parser
    • KKRimp Parser
    • Voronoi Parser
  • Tools
    • Common functions that do not need aiida
    • Common (work)functions that need aiida
    • KKR parameters class
    • KKR parser functions
    • Voronoi parser functions
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