:py:mod:`aiida_vasp.utils.compare_bands`
========================================

.. py:module:: aiida_vasp.utils.compare_bands

.. autodoc2-docstring:: aiida_vasp.utils.compare_bands
   :allowtitles:

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

Functions
~~~~~~~~~

.. list-table::
   :class: autosummary longtable
   :align: left

   * - :py:obj:`_firstspin <aiida_vasp.utils.compare_bands._firstspin>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands._firstspin
          :summary:
   * - :py:obj:`make_reference_bands_inline <aiida_vasp.utils.compare_bands.make_reference_bands_inline>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.make_reference_bands_inline
          :summary:
   * - :py:obj:`get_outer_window <aiida_vasp.utils.compare_bands.get_outer_window>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_outer_window
          :summary:
   * - :py:obj:`band_gap <aiida_vasp.utils.compare_bands.band_gap>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_gap
          :summary:
   * - :py:obj:`band_error <aiida_vasp.utils.compare_bands.band_error>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_error
          :summary:
   * - :py:obj:`bands_error <aiida_vasp.utils.compare_bands.bands_error>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.bands_error
          :summary:
   * - :py:obj:`compare_bands <aiida_vasp.utils.compare_bands.compare_bands>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_bands
          :summary:
   * - :py:obj:`compare_from_window_wf <aiida_vasp.utils.compare_bands.compare_from_window_wf>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_from_window_wf
          :summary:
   * - :py:obj:`plot_errors_vs_iwsize <aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize
          :summary:
   * - :py:obj:`get_band_properties_from_data <aiida_vasp.utils.compare_bands.get_band_properties_from_data>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties_from_data
          :summary:
   * - :py:obj:`get_band_properties <aiida_vasp.utils.compare_bands.get_band_properties>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties
          :summary:

Data
~~~~

.. list-table::
   :class: autosummary longtable
   :align: left

   * - :py:obj:`BANDS_CLS <aiida_vasp.utils.compare_bands.BANDS_CLS>`
     - .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.BANDS_CLS
          :summary:

API
~~~

.. py:data:: BANDS_CLS
   :canonical: aiida_vasp.utils.compare_bands.BANDS_CLS
   :value: 'DataFactory(...)'

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.BANDS_CLS

.. py:function:: _firstspin(bands: numpy.ndarray) -> numpy.ndarray
   :canonical: aiida_vasp.utils.compare_bands._firstspin

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands._firstspin

.. py:function:: make_reference_bands_inline(wannier_bands: aiida.orm.BandsData, vasp_bands: aiida.orm.BandsData, efermi: aiida.orm.Float | None = None) -> dict[str, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.make_reference_bands_inline

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.make_reference_bands_inline

.. py:function:: get_outer_window(bands_node: aiida.orm.BandsData, silent: bool = False) -> tuple[float, float] | None
   :canonical: aiida_vasp.utils.compare_bands.get_outer_window

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_outer_window

.. py:function:: band_gap(bands: numpy.ndarray, occ: numpy.ndarray, efermi: float | None = None) -> dict[str, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.band_gap

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_gap

.. py:function:: band_error(band1: numpy.ndarray, band2: numpy.ndarray) -> float
   :canonical: aiida_vasp.utils.compare_bands.band_error

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.band_error

.. py:function:: bands_error(bands1: aiida.orm.BandsData, bands2: aiida.orm.BandsData) -> numpy.ndarray
   :canonical: aiida_vasp.utils.compare_bands.bands_error

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.bands_error

.. py:function:: compare_bands(vasp_bands: aiida.orm.BandsData, wannier_bands_list: list[aiida.orm.BandsData], plot_folder: str | None = None) -> dict[int, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.compare_bands

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_bands

.. py:function:: compare_from_window_wf(workflow: aiida.orm.WorkflowNode, **kwargs: typing.Any) -> dict[int, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.compare_from_window_wf

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.compare_from_window_wf

.. py:function:: plot_errors_vs_iwsize(comparison_info: dict[int, typing.Any]) -> tuple[typing.Any, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.plot_errors_vs_iwsize

.. py:function:: get_band_properties_from_data(bandsdata: aiida.orm.BandsData) -> dict[str, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.get_band_properties_from_data

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties_from_data

.. py:function:: get_band_properties(eigenvalues: numpy.ndarray, occupations: numpy.ndarray) -> dict[str, typing.Any]
   :canonical: aiida_vasp.utils.compare_bands.get_band_properties

   .. autodoc2-docstring:: aiida_vasp.utils.compare_bands.get_band_properties