Current state:

Short description: Advanced AiiDA workflows for Wannier90

How to install: pip install aiida-wannier90-workflows

Source code: Go to the source code repository

Author(s): Junfeng Qiao, Antimo Marrazzo, Giovanni Pizzi

How to use from python: import aiida_wannier90_workflows

Most recent version: 2.1.0

Compatibility:

Plugins provided by the package

Calculations 1 Parsers 1 Workflows 10 Console scripts 1

CalcJobs and calculation functions (aiida.calculations)

• wannier90_workflows.split
  class aiida_wannier90_workflows.calculations.split:Wannier90SplitCalculation

CalcJob parsers (aiida.parsers)

• wannier90_workflows.split
  class aiida_wannier90_workflows.parsers.split:Wannier90SplitParser

WorkChains and work functions (aiida.workflows)

• wannier90_workflows.bands
  class aiida_wannier90_workflows.workflows.bands:Wannier90BandsWorkChain
• wannier90_workflows.base.open_grid
  class aiida_wannier90_workflows.workflows.base.open_grid:OpenGridBaseWorkChain
• wannier90_workflows.base.projwfc
  class aiida_wannier90_workflows.workflows.base.projwfc:ProjwfcBaseWorkChain
• wannier90_workflows.base.pw2wannier90
  class aiida_wannier90_workflows.workflows.base.pw2wannier90:Pw2wannier90BaseWorkChain
• wannier90_workflows.base.wannier90
  class aiida_wannier90_workflows.workflows.base.wannier90:Wannier90BaseWorkChain
• wannier90_workflows.open_grid
  class aiida_wannier90_workflows.workflows.open_grid:Wannier90OpenGridWorkChain
• wannier90_workflows.optimize
  class aiida_wannier90_workflows.workflows.optimize:Wannier90OptimizeWorkChain
• wannier90_workflows.projwfcbands
  class aiida_wannier90_workflows.workflows.projwfcbands:ProjwfcBandsWorkChain
• wannier90_workflows.split
  class aiida_wannier90_workflows.workflows.split:Wannier90SplitWorkChain
• wannier90_workflows.wannier90
  class aiida_wannier90_workflows.workflows.wannier90:Wannier90WorkChain

Console scripts (console_scripts)

• aiida-wannier90-workflows
  class aiida_wannier90_workflows.cli:cmd_root