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AiiDA plugin package "aiida-tbextraction"

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General information

Current state:

Short description: AiiDA Plugin for extracting tight-binding models

How to install: pip install --pre aiida-tbextraction

Source code: Go to the source code repository

Documentation: Go to plugin documentation

Detailed information

Author(s): Dominik Gresch

Contact: greschd@gmx.ch

How to use from python: import aiida_tbextraction

Most recent version: 0.2.0b1

Compatibility:

Plugins provided by the package

Workflows 10

WorkChains and work functions (aiida.workflows)

  • tbextraction.fp_run.base
    class aiida_tbextraction.fp_run:FirstPrinciplesRunBase
  • tbextraction.fp_run.reference_bands.base
    class aiida_tbextraction.fp_run.reference_bands:ReferenceBandsBase
  • tbextraction.fp_run.wannier_input.base
    class aiida_tbextraction.fp_run.wannier_input:WannierInputBase
  • tbextraction.calculate_tb
    class aiida_tbextraction.calculate_tb:TightBindingCalculation
  • tbextraction.model_evaluation.base
    class aiida_tbextraction.model_evaluation:ModelEvaluationBase
  • tbextraction.model_evaluation.band_difference
    class aiida_tbextraction.model_evaluation:BandDifferenceModelEvaluation
  • tbextraction.energy_windows.run_window
    class aiida_tbextraction.energy_windows.run_window:RunWindow
  • tbextraction.energy_windows.window_search
    class aiida_tbextraction.energy_windows.window_search:WindowSearch
  • tbextraction.optimize_fp_tb
    class aiida_tbextraction.optimize_fp_tb:OptimizeFirstPrinciplesTightBinding
  • tbextraction.optimize_strained_fp_tb
    class aiida_tbextraction.optimize_strained_fp_tb:OptimizeStrainedFirstPrinciplesTightBinding