Current state: development

Go to the plugin code homepage

Author(s): Dominik Gresch

Short description: AiiDA Plugin for extracting tight-binding models

Package name (for pip): aiida-tbextraction

How to use from python: import aiida_tbextraction

Most recent version:

Summary of the entrypoints

This plugin contains:
Workflows 14

Available entrypoints

Workflows and WorkChains (aiida.workflows)

• tbextraction.fp_run.base
  class aiida_tbextraction.fp_run:FirstPrinciplesRunBase
• tbextraction.fp_run.split
  class aiida_tbextraction.fp_run:SplitFirstPrinciplesRun
• tbextraction.fp_run.vasp
  class aiida_tbextraction.fp_run:VaspFirstPrinciplesRun
• tbextraction.fp_run.reference_bands.base
  class aiida_tbextraction.fp_run.reference_bands:ReferenceBandsBase
• tbextraction.fp_run.reference_bands.vasp
  class aiida_tbextraction.fp_run.reference_bands:VaspReferenceBands
• tbextraction.fp_run.wannier_input.base
  class aiida_tbextraction.fp_run.wannier_input:WannierInputBase
• tbextraction.fp_run.wannier_input.vasp
  class aiida_tbextraction.fp_run.wannier_input:VaspWannierInput
• 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