:py:mod:`aiida_sssp_workflow.calculations.calculate_bands_distance`
===================================================================

.. py:module:: aiida_sssp_workflow.calculations.calculate_bands_distance

.. autoapi-nested-parse::

   calculate bands distance



Module Contents
---------------


Functions
~~~~~~~~~

.. autoapisummary::

   aiida_sssp_workflow.calculations.calculate_bands_distance.calculate_bands_distance
   aiida_sssp_workflow.calculations.calculate_bands_distance.get_homo
   aiida_sssp_workflow.calculations.calculate_bands_distance.fermi_dirac
   aiida_sssp_workflow.calculations.calculate_bands_distance.retrieve_bands
   aiida_sssp_workflow.calculations.calculate_bands_distance.calculate_eta_and_max_diff
   aiida_sssp_workflow.calculations.calculate_bands_distance.get_bands_distance



.. py:function:: calculate_bands_distance(bands_structure_a: aiida.orm.BandsData, bands_parameters_a: aiida.orm.Dict, bands_structure_b: aiida.orm.BandsData, bands_parameters_b: aiida.orm.Dict, smearing: aiida.orm.Float, is_metal: aiida.orm.Bool)

   doc


.. py:function:: get_homo(bands, num_electrons: int)

   This function only work for insulator,
   therefore the num_electrons is even number.


.. py:function:: fermi_dirac(band_energy, fermi_energy, smearing)

   The first argument can be an array


.. py:function:: retrieve_bands(bandsdata: aiida.orm.BandsData, start_band, num_electrons, efermi, smearing, is_metal)

   docstring


.. py:function:: calculate_eta_and_max_diff(bands_a: aiida.orm.ArrayData, bands_b: aiida.orm.ArrayData, efermi_a, efermi_b, fermi_shift, smearing)

   docstring


.. py:function:: get_bands_distance(bands_a: aiida.orm.BandsData, bands_b: aiida.orm.BandsData, band_parameters_a: aiida.orm.Dict, band_parameters_b: aiida.orm.Dict, smearing, is_metal)

   TODO docstring