aiida-wannier90-workflows

Advanced AiiDA workflows for Wannier90

status stable

AiiDA >=2.5,<3.0

General information

Install pip install aiida-wannier90-workflows

Documentation No documentation provided by the package author.

Python import import aiida_wannier90_workflows

Latest version 2.7.1

Released 2026-05-08

W006: 'development_status' key is deprecated. Use PyPI Trove classifiers in the plugin repository instead.

Click any code (W001, E001…) to jump to troubleshooting instructions .

Calculations 1 Parsers 1 Data 1 Workflows 10 Console scripts 1

CalcJobs and calculation functions aiida.calculations

wannier90_workflows.split

class: aiida_wannier90_workflows.calculations.split:Wannier90SplitCalculation

AiiDA calculation plugin wrapping the split AMN/MMN/EIG script.

Input	Required	Valid types	Description
`num_val`	true	`Int`	Number of valence WFs.
`code`	false	`AbstractCode, NoneType`	The `Code` to use for this job. This input is required, unless the `remote_folder` input is specified, which means an existing job is being imported and no code will actually be run.
`metadata`	false
`monitors`	false	`Dict`	Add monitoring functions that can inspect output files while the job is running and decide to prematurely terminate the job.
`parent_folder`	false	`RemoteData, NoneType`	Remote folder containing win/amn/mmn/eig/unk files.
`remote_folder`	false	`RemoteData, NoneType`	Remote directory containing the results of an already completed calculation job without AiiDA. The inputs should be passed to the `CalcJob` as normal but instead of launching the actual job, the engine will recreate the input files and then proceed straight to the retrieve step where the files of this `RemoteData` will be retrieved as if it had been actually launched through AiiDA. If a parser is defined in the inputs, the results are parsed and attached as output nodes as usual.
`rotate_unk`	false	`Bool`	Number of valence WFs.

Output	Required	Valid types	Description
`output_parameters`	true	`Dict`	Output parameters.
`remote_folder`	true	`RemoteData`	Input files necessary to run the process will be stored in this folder node.
`remote_folder_cond`	true	`RemoteData`	Remote folder for conduction.
`remote_folder_val`	true	`RemoteData`	Remote folder for valence.
`retrieved`	true	`FolderData`	Files that are retrieved by the daemon will be stored in this node. By default the stdout and stderr of the scheduler will be added, but one can add more by specifying them in `CalcInfo.retrieve_list`.
`remote_stash`	false	`RemoteStashData`	Contents of the `stash.source_list` option are stored in this remote folder after job completion.

Exit status	Message
1	The process has failed with an unspecified error.
2	The process failed with legacy failure mode.
10	The process returned an invalid output.
11	The process did not register a required output.
100	The process did not have the required `retrieved` output.
110	The job ran out of memory.
120	The job ran out of walltime.
131	The specified account is invalid.
140	The node running the job failed.
150	{message}
300	Calculation did not produce all expected output files.
301	The retrieved temporary folder could not be accessed.

Data node types aiida.data

wannier90_workflows.MagneticStructureData
aiida_wannier90_workflows.data.structure:MagneticStructureData

CalcJob parsers aiida.parsers

wannier90_workflows.split
aiida_wannier90_workflows.parsers.split:Wannier90SplitParser

WorkChains and work functions aiida.workflows

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

Console scripts console_scripts