.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "examples_generated/gallery/bs.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        :ref:`Go to the end <sphx_glr_download_examples_generated_gallery_bs.py>`
        to download the full example code.

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_examples_generated_gallery_bs.py:

.. _galleryband:

Band-structure
==============

.. GENERATED FROM PYTHON SOURCE LINES 8-18



.. image-sg:: /examples_generated/gallery/images/sphx_glr_bs_001.png
   :alt: bs
   :srcset: /examples_generated/gallery/images/sphx_glr_bs_001.png
   :class: sphx-glr-single-img

.. image-sg:: /examples_generated/gallery/images/sphx_glr_bs_002.png
   :alt: bs
   :srcset: /examples_generated/gallery/images/sphx_glr_bs_002.png
   :class: sphx-glr-single-img


.. rst-class:: sphx-glr-script-out

 .. code-block:: none


    <Axes: ylabel='energies [eV]'>





|

.. code-block:: Python


    from ase.build import bulk
    from ase.calculators.test import FreeElectrons

    atoms = bulk('Cu')
    band_path = atoms.cell.bandpath('GXWLGK', npoints=200)
    atoms.calc = FreeElectrons(nvalence=1, kpts=band_path)
    atoms.get_potential_energy()
    bs = atoms.calc.band_structure()
    bs.plot(emin=0, emax=20, filename='cu.png')


.. _sphx_glr_download_examples_generated_gallery_bs.py:

.. only:: html

  .. container:: sphx-glr-footer sphx-glr-footer-example

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download Jupyter notebook: bs.ipynb <bs.ipynb>`

    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download Python source code: bs.py <bs.py>`

    .. container:: sphx-glr-download sphx-glr-download-zip

      :download:`Download zipped: bs.zip <bs.zip>`


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_