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