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

.. py:module:: aiida_vasp.utils.sumo

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

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

Functions
~~~~~~~~~

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

   * - :py:obj:`get_sumo_dos_plotter <aiida_vasp.utils.sumo.get_sumo_dos_plotter>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_sumo_dos_plotter
          :summary:
   * - :py:obj:`get_pmg_bandstructure <aiida_vasp.utils.sumo.get_pmg_bandstructure>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_pmg_bandstructure
          :summary:
   * - :py:obj:`get_sumo_bands_plotter <aiida_vasp.utils.sumo.get_sumo_bands_plotter>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_sumo_bands_plotter
          :summary:
   * - :py:obj:`find_vbm <aiida_vasp.utils.sumo.find_vbm>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.find_vbm
          :summary:
   * - :py:obj:`find_cbm <aiida_vasp.utils.sumo.find_cbm>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.find_cbm
          :summary:
   * - :py:obj:`make_latex_labels <aiida_vasp.utils.sumo.make_latex_labels>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.make_latex_labels
          :summary:
   * - :py:obj:`get_pymatgen_phonon_bands <aiida_vasp.utils.sumo.get_pymatgen_phonon_bands>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_pymatgen_phonon_bands
          :summary:
   * - :py:obj:`get_sumo_phonon_plotter <aiida_vasp.utils.sumo.get_sumo_phonon_plotter>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_sumo_phonon_plotter
          :summary:
   * - :py:obj:`bandstats <aiida_vasp.utils.sumo.bandstats>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.bandstats
          :summary:
   * - :py:obj:`get_efermi_from_band <aiida_vasp.utils.sumo.get_efermi_from_band>`
     - .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_efermi_from_band
          :summary:

API
~~~

.. py:function:: get_sumo_dos_plotter(scf_node: aiida.orm.CalcJobNode, **kwargs) -> sumo.plotting.dos_plotter.SDOSPlotter
   :canonical: aiida_vasp.utils.sumo.get_sumo_dos_plotter

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_sumo_dos_plotter

.. py:function:: get_pmg_bandstructure(bands_node: aiida.orm.BandsData, structure: aiida.orm.StructureData = None, efermi: typing.Optional[float] = None, **kwargs) -> pymatgen.electronic_structure.bandstructure.BandStructureSymmLine
   :canonical: aiida_vasp.utils.sumo.get_pmg_bandstructure

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_pmg_bandstructure

.. py:function:: get_sumo_bands_plotter(bands: aiida.orm.BandsData, efermi: typing.Optional[float] = None, structure: typing.Optional[aiida.orm.StructureData] = None, **kwargs) -> sumo.plotting.bs_plotter.SBSPlotter
   :canonical: aiida_vasp.utils.sumo.get_sumo_bands_plotter

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_sumo_bands_plotter

.. py:function:: find_vbm(bands: numpy.ndarray, occupations: numpy.ndarray, tol: float = 0.0001) -> float
   :canonical: aiida_vasp.utils.sumo.find_vbm

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.find_vbm

.. py:function:: find_cbm(bands: numpy.ndarray, occupations: numpy.ndarray, tol: float = 0.0001) -> float
   :canonical: aiida_vasp.utils.sumo.find_cbm

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.find_cbm

.. py:function:: make_latex_labels(labels: list) -> list
   :canonical: aiida_vasp.utils.sumo.make_latex_labels

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.make_latex_labels

.. py:function:: get_pymatgen_phonon_bands(band_structure: aiida.orm.BandsData, input_structure: aiida.orm.StructureData, has_nac: bool = False) -> pymatgen.phonon.bandstructure.PhononBandStructureSymmLine
   :canonical: aiida_vasp.utils.sumo.get_pymatgen_phonon_bands

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_pymatgen_phonon_bands

.. py:function:: get_sumo_phonon_plotter(band_structure: aiida.orm.BandsData, input_structure: aiida.orm.StructureData, has_nac: bool = False, imag_tol: float = -0.05) -> sumo.plotting.phonon_bs_plotter.SPhononBSPlotter
   :canonical: aiida_vasp.utils.sumo.get_sumo_phonon_plotter

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_sumo_phonon_plotter

.. py:function:: bandstats(bs: typing.Union[pymatgen.electronic_structure.bandstructure.BandStructureSymmLine, aiida.orm.BandsData], num_sample_points: int = 3, temperature: typing.Optional[float] = None, degeneracy_tol: float = 0.0001, parabolic: bool = True, structure: typing.Optional[aiida.orm.StructureData] = None, efermi: typing.Optional[float] = None, **kwargs)
   :canonical: aiida_vasp.utils.sumo.bandstats

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.bandstats

.. py:function:: get_efermi_from_band(bands_node: aiida.orm.BandsData) -> typing.Optional[float]
   :canonical: aiida_vasp.utils.sumo.get_efermi_from_band

   .. autodoc2-docstring:: aiida_vasp.utils.sumo.get_efermi_from_band