:orphan:



.. _sphx_glr_gallery:

.. _plot-gallery:

AbiPy Gallery
=============

There are a variety of ways to use the AbiPy post-processing tools,
and some of them are illustrated in the examples in this directory.
These examples represent an excellent starting point if you need  to implement
a customized script to solve your particular problem.
Keep in mind, however, that simple visualization tasks can be easily 
automated by just issuing in the terminal::

    abiopen.py FILE --expose

to generate a predefined list of **matplotlib** plots.
To activate the plotly version use:

.. code-block:: shell

    abiopen.py FILE --plotly

although at the time of writing not all the files support this protocol.

Note also that one can generate jupyter-lab notebooks directly from the command line with
abiopen.py_ and the command::

    abiopen.py FILE -nb

Add `--classic-notebook` if you prefer classic jupyter notebooks.

Finally, use one of the options of the abiview.py_ script to plot the results automatically.



.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the phonon band structure of AlAs. See tutorial/lesson_rf2.html">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phonons_thumb.png
     :alt: AlAs Phonon bands

     :ref:`sphx_glr_gallery_plot_phonons.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phonons

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the wannier90 results using the ABIWAN.nc netcdf file produce...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_wannier90_abiwan_thumb.png
     :alt: Band structure interpolation with Wannier functions

     :ref:`sphx_glr_gallery_plot_wannier90_abiwan.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_wannier90_abiwan

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot a band structure using the eigenvalues stored in the GSR file pr...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ebands_thumb.png
     :alt: Band structure plot

     :ref:`sphx_glr_gallery_plot_ebands.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ebands

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to compute the DOS and plot a band structure with DOS using two GSR file...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ebands_edos_thumb.png
     :alt: Bands + DOS

     :ref:`sphx_glr_gallery_plot_ebands_edos.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ebands_edos

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the macroscopic dielectric function (MDF) computed in the Bethe-...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_mdf_thumb.png
     :alt: Bethe-Salpeter

     :ref:`sphx_glr_gallery_plot_mdf.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_mdf

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to display the Brillouin zone with pymatgen and matplotlib.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_bz_thumb.png
     :alt: Brillouin zone

     :ref:`sphx_glr_gallery_plot_bz.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_bz

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the results of the DFPT self-consistent cycle reported in the ma...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_dfpt_cycle_thumb.png
     :alt: DFPT SCF cycle

     :ref:`sphx_glr_gallery_plot_dfpt_cycle.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_dfpt_cycle

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the generalized phonon DOS with the mean square displacement ten...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phonons_msqd_thumb.png
     :alt: Debye-Waller and generalized phonon DOS

     :ref:`sphx_glr_gallery_plot_phonons_msqd.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phonons_msqd

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the electronic density stored in the DEN.nc file.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_den_thumb.png
     :alt: Density

     :ref:`sphx_glr_gallery_plot_den.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_den

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This examples shows how to plot the macroscopic dielectric function computed in the GW code (op...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_scr_thumb.png
     :alt: Dielectric function with LFE

     :ref:`sphx_glr_gallery_plot_scr.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_scr

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to compute the DOS from the eigenvalues stored in the WFK file with the ...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_edos_thumb.png
     :alt: Electron DOS

     :ref:`sphx_glr_gallery_plot_edos.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_edos

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot several band structures on a grid">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ebands_grid_thumb.png
     :alt: ElectronBandsPlotter

     :ref:`sphx_glr_gallery_plot_ebands_grid.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ebands_grid

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to dowload the electronic band structure and the DDB file using the mp i...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_eph_from_mp_thumb.png
     :alt: Electrons and Phonons from the materials project website

     :ref:`sphx_glr_gallery_plot_eph_from_mp.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_eph_from_mp

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the Eliashberg function a2F(w) and the total e-ph coupling stren...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_a2f_thumb.png
     :alt: Eliashberg function

     :ref:`sphx_glr_gallery_plot_a2f.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_a2f

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to use the Function1D object to analyze and plot results.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_funcs_thumb.png
     :alt: Function1D object

     :ref:`sphx_glr_gallery_plot_funcs.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_funcs

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This examples shows how to plot the G0W0 spectral functions A(w) at the gamma point. See also l...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_gw_spectral_functions_thumb.png
     :alt: G0W0 spectral function

     :ref:`sphx_glr_gallery_plot_gw_spectral_functions.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_gw_spectral_functions

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to use the SigresRobot to visualize the convergence of the QP results st...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_qpconvergence_thumb.png
     :alt: GW Convergence

     :ref:`sphx_glr_gallery_plot_qpconvergence.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_qpconvergence

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to interpolate the GW corrections and use the interpolated values to cor...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_qpbands_with_interpolation_thumb.png
     :alt: GW corrections

     :ref:`sphx_glr_gallery_plot_qpbands_with_interpolation.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_qpbands_with_interpolation

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to generate an energy-dependent scissors operator by fitting the GW corr...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_qpbands_with_scissor_thumb.png
     :alt: GW with scissors operator

     :ref:`sphx_glr_gallery_plot_qpbands_with_scissor.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_qpbands_with_scissor

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the results of the GS self-consistent cycle reported in the main...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_gscycle_thumb.png
     :alt: Ground-state SCF cycle

     :ref:`sphx_glr_gallery_plot_gscycle.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_gscycle

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the Gruneisen parameters computed by anaddb via finite differ...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_gruneisen_thumb.png
     :alt: Gruneisen parameters

     :ref:`sphx_glr_gallery_plot_gruneisen.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_gruneisen

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the infrared spectrum of a polar semiconductor (AlAs) from the D...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phonons_infrared_thumb.png
     :alt: Infrared spectrum of AlAs

     :ref:`sphx_glr_gallery_plot_phonons_infrared.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phonons_infrared

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the longitudinal part of the Interatomic Force Constants in real...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ifcs_thumb.png
     :alt: Interatomic Force Constants

     :ref:`sphx_glr_gallery_plot_ifcs.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ifcs

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how plot the different contributions to the electronic joint density of stat...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ejdos_thumb.png
     :alt: Joint Density of States

     :ref:`sphx_glr_gallery_plot_ejdos.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ejdos

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to extract energies along a k-path from a calculation done with a (relat...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_kpath_from_ibz_thumb.png
     :alt: K-path from IBZ

     :ref:`sphx_glr_gallery_plot_kpath_from_ibz.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_kpath_from_ibz

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the LM-projected fatbands. The FATBANDS file must have benn prod...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_efatbands_lm_thumb.png
     :alt: LM-fatbands

     :ref:`sphx_glr_gallery_plot_efatbands_lm.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_efatbands_lm

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the output files produced by Lobster code &lt;&lt;http://schmeling....">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_lobster_files_thumb.png
     :alt: Lobster COHP/COP/DOS

     :ref:`sphx_glr_gallery_plot_lobster_files.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_lobster_files

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the COHPCAR file produced by Lobster code &lt;http://schmeling.a...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_lobster_cohp_thumb.png
     :alt: Lobster COHPCAR

     :ref:`sphx_glr_gallery_plot_lobster_cohp.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_lobster_cohp

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the Fermi surface with matplotlib">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_fermisurface_thumb.png
     :alt: MgB2 Fermi surface

     :ref:`sphx_glr_gallery_plot_fermisurface.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_fermisurface

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the L-projected fatbands of MgB2 using the FATBANDS.nc files pro...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_efatbands_thumb.png
     :alt: MgB2 fatbands

     :ref:`sphx_glr_gallery_plot_efatbands.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_efatbands

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze multiple MDF files.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_multiple_mdf_thumb.png
     :alt: Multiple Bethe-Salpeter calculations

     :ref:`sphx_glr_gallery_plot_multiple_mdf.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_multiple_mdf

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the results of multiple structure relaxations with the HIST r...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_multiple_hist_thumb.png
     :alt: Multiple Structural relaxations

     :ref:`sphx_glr_gallery_plot_multiple_hist.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_multiple_hist

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to compute and plot multiple electron DOSes obtained with different valu...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_edos_vs_broad_thumb.png
     :alt: Multiple e-DOSes

     :ref:`sphx_glr_gallery_plot_edos_vs_broad.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_edos_vs_broad

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot several phonon band structures on a grid.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phbands_grid_thumb.png
     :alt: Multiple phonon bands

     :ref:`sphx_glr_gallery_plot_phbands_grid.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phbands_grid

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot several phonon band structures on a grid.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phbands_nkpt_tsmear_thumb.png
     :alt: Multiple phonon bands with DDB robot

     :ref:`sphx_glr_gallery_plot_phbands_nkpt_tsmear.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phbands_nkpt_tsmear

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the optical properties computed by optic within the independent-...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_optic_thumb.png
     :alt: Optic results

     :ref:`sphx_glr_gallery_plot_optic.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_optic

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the phonon band structure of AlAs with plotly. See tutorial/less...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plotly_phbands_and_dos_thumb.png
     :alt: Phonon Band structures (Plotly version)

     :ref:`sphx_glr_gallery_plotly_phbands_and_dos.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plotly_phbands_and_dos

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the phonon band structure of AlAs. without the LO-TO splitting. ...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phbands_and_dos_thumb.png
     :alt: Phonon band structures with LO-TO

     :ref:`sphx_glr_gallery_plot_phbands_and_dos.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phbands_and_dos

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the phonon band structure of AlAs including the LO-TO splitting....">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phonons_lo_to_thumb.png
     :alt: Phonon bands with LO-TO from PHBST.nc

     :ref:`sphx_glr_gallery_plot_phonons_lo_to.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phonons_lo_to

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot a phonon band structure with and without enforcing the acoustic ...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ddb_asr_thumb.png
     :alt: Phonon bands with/without the ASR

     :ref:`sphx_glr_gallery_plot_ddb_asr.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ddb_asr

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the phonon fatbands of AlAs. See tutorial/lesson_rf2.html">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phonon_fatbands_thumb.png
     :alt: Phonon fatbands

     :ref:`sphx_glr_gallery_plot_phonon_fatbands.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phonon_fatbands

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the potentials stored in netcdf files. Use the input variables p...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_potentials_thumb.png
     :alt: Potentials

     :ref:`sphx_glr_gallery_plot_potentials.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_potentials

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the projected phonon DOS (PJDOS) of AlAs. See tutorial/lesson_rf...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phonon_pjdos_thumb.png
     :alt: Projected phonon DOS

     :ref:`sphx_glr_gallery_plot_phonon_pjdos.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phonon_pjdos

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to use the GSR.nc and PHDOS.nc files computed with different volumes to ...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_qha_thumb.png
     :alt: Quasi-harmonic approximation

     :ref:`sphx_glr_gallery_plot_qha.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_qha

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to use the GSR.nc and PHDOS.nc files computed with different volumes to ...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_qha_vs_qmesh_thumb.png
     :alt: Quasi-harmonic approximation (convergence wrt Q-mesh)

     :ref:`sphx_glr_gallery_plot_qha_vs_qmesh.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_qha_vs_qmesh

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This examples shows how to plot the matrix elements of the inverse dielectric function stored i...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_scr_matrix_thumb.png
     :alt: SCR matrix

     :ref:`sphx_glr_gallery_plot_scr_matrix.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_scr_matrix

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to visualize the QP results stored in the SIGRES produced by the GW code...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_qps_thumb.png
     :alt: SIGRES file (GW)

     :ref:`sphx_glr_gallery_plot_qps.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_qps

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to use seaborn to draw a box plot showing the distributions of eigenvalu...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ebands_boxplot_thumb.png
     :alt: Seaborn boxplot

     :ref:`sphx_glr_gallery_plot_ebands_boxplot.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ebands_boxplot

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to compute the speed of sound by fitting phonon frequencies along select...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_speed_of_sound_thumb.png
     :alt: Speed of Sound

     :ref:`sphx_glr_gallery_plot_speed_of_sound.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_speed_of_sound

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the band structure of nickel using the eigenvalues stored in the...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ebands_spin_thumb.png
     :alt: Spin-polarized e-bands

     :ref:`sphx_glr_gallery_plot_ebands_spin.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ebands_spin

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the results of a structure relaxation run using the HIST.nc f...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_hist_thumb.png
     :alt: Structural relaxation

     :ref:`sphx_glr_gallery_plot_hist.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_hist

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to compute and plot thermodinamic properties within the harmonic approxi...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_phthermo_thumb.png
     :alt: Thermodinamic properties

     :ref:`sphx_glr_gallery_plot_phthermo.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_phthermo

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the results produced by fold2bloch. &lt;http://www.abinit.org/doc/h...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_fold2bloch_thumb.png
     :alt: Unfolding with fold2bloch

     :ref:`sphx_glr_gallery_plot_fold2bloch.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_fold2bloch

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to display the unit cell with matplotlib.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_structure_thumb.png
     :alt: Unit cell

     :ref:`sphx_glr_gallery_plot_structure.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_structure

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the convergence of the wannierization cycle using the .wout file...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_wannier90_wout_thumb.png
     :alt: Wannier90 wout file

     :ref:`sphx_glr_gallery_plot_wannier90_wout.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_wannier90_wout

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to analyze the wavefunctions stored in the WFK.nc file.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_wfk_thumb.png
     :alt: Wavefunction file

     :ref:`sphx_glr_gallery_plot_wfk.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_wfk

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the X-ray diffraction pattern with pymatgen">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_xrd_thumb.png
     :alt: X-ray diffraction pattern

     :ref:`sphx_glr_gallery_plot_xrd.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_xrd

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot a particular &quot;band&quot; in 3D with matplotlib scatter3D. The color o...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_ebands_scatter3d_thumb.png
     :alt: e-bands scatter3d

     :ref:`sphx_glr_gallery_plot_ebands_scatter3d.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_ebands_scatter3d

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to visualize the SCGW QP amplitudes in the KS basis set.">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_scqpgw_thumb.png
     :alt: self-consistent GW

     :ref:`sphx_glr_gallery_plot_scqpgw.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_scqpgw

.. raw:: html

    <div class="sphx-glr-thumbcontainer" tooltip="This example shows how to plot the L-projected fatbands of Ni using the results stored in the F...">

.. only:: html

 .. figure:: /gallery/images/thumb/sphx_glr_plot_efatbands_spin_thumb.png
     :alt: spin-polarized fatbands

     :ref:`sphx_glr_gallery_plot_efatbands_spin.py`

.. raw:: html

    </div>


.. toctree::
   :hidden:

   /gallery/plot_efatbands_spin
.. raw:: html

    <div class="sphx-glr-clear"></div>



.. only :: html

 .. container:: sphx-glr-footer
    :class: sphx-glr-footer-gallery


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

    :download:`Download all examples in Python source code: gallery_python.zip </gallery/gallery_python.zip>`



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

    :download:`Download all examples in Jupyter notebooks: gallery_jupyter.zip </gallery/gallery_jupyter.zip>`


.. only:: html

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

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