aiida_pythonjob_ins.data.qpoint_phonon_modes
============================================

.. py:module:: aiida_pythonjob_ins.data.qpoint_phonon_modes

.. autoapi-nested-parse::

   AiiDA Data node wrapping a Euphonic ``QpointPhononModes`` object.

   ``QpointPhononModes`` is a key *output* object: phonon frequencies and
   eigenvectors evaluated at a set of q-points (e.g. a band-structure path).
   https://euphonic.readthedocs.io/en/stable/qpoint-phonon-modes.html



Classes
-------

.. autoapisummary::

   aiida_pythonjob_ins.data.qpoint_phonon_modes.QpointPhononModesData


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

.. py:class:: QpointPhononModesData(euphonic_object: Any | None = None, **kwargs)

   Bases: :py:obj:`aiida_pythonjob_ins.data.mixins.CrystalStructureMixin`, :py:obj:`aiida_pythonjob_ins.data.base.EuphonicJSONData`


   Store a Euphonic ``QpointPhononModes`` object as an AiiDA node.


   .. py:method:: get_modes() -> euphonic.QpointPhononModes

      Return the wrapped :class:`euphonic.QpointPhononModes`.



   .. py:method:: to_kpoints() -> aiida.orm.KpointsData

      Convert the q-point positions to a native ``KpointsData``.

      Note: Euphonic modes carry no high-symmetry labels, so the returned
      ``KpointsData`` has positions only. Labels come from the ``KpointsData``
      used to *generate* the path (see the dispersion workflow).



   .. py:method:: to_bands(kpoints: aiida.orm.KpointsData | None = None) -> aiida.orm.BandsData

      Convert to a native ``BandsData`` (frequencies as bands) for plotting.

      Euphonic modes don't carry high-symmetry labels, so pass the path
      ``KpointsData`` to carry its labels (and exact positions) onto the
      ``BandsData``; then ``BandsData.show_mpl()`` yields a labelled plot.