.. DO NOT EDIT. .. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY. .. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE: .. "gallery/plot_a2f.py" .. LINE NUMBERS ARE GIVEN BELOW. .. only:: html .. note:: :class: sphx-glr-download-link-note Click :ref:`here ` to download the full example code or to run this example in your browser via Binder .. rst-class:: sphx-glr-example-title .. _sphx_glr_gallery_plot_a2f.py: Eliashberg function =================== This example shows how to plot the Eliashberg function a2F(w) and the total e-ph coupling strenght in metals. .. GENERATED FROM PYTHON SOURCE LINES 9-33 .. rst-class:: sphx-glr-horizontal * .. image:: /gallery/images/sphx_glr_plot_a2f_001.png :alt: plot a2f :class: sphx-glr-multi-img * .. image:: /gallery/images/sphx_glr_plot_a2f_002.png :alt: plot a2f :class: sphx-glr-multi-img * .. image:: /gallery/images/sphx_glr_plot_a2f_003.png :alt: plot a2f :class: sphx-glr-multi-img .. rst-class:: sphx-glr-script-out Out: .. code-block:: none ================================= File Info ================================= Name: al_888k_161616q_A2F.nc Directory: /Users/gmatteo/git_repos/abipy/abipy/data/refs/al_eph Size: 252.30 kb Access Time: Wed Mar 20 21:31:02 2019 Modification Time: Wed Mar 20 16:53:35 2019 Change Time: Wed Mar 20 16:53:35 2019 ================================= Structure ================================= Full Formula (Al1) Reduced Formula: Al abc : 2.806386 2.806386 2.806386 angles: 60.000000 60.000000 60.000000 Sites (1) # SP a b c --- ---- --- --- --- 0 Al 0 0 0 Abinit Spacegroup: spgid: 0, num_spatial_symmetries: 48, has_timerev: True, symmorphic: False ============================== Electronic Bands ============================== Number of electrons: 3.0, Fermi level: 7.129 (eV) nsppol: 1, nkpt: 72, mband: 5, nspinor: 1, nspden: 1 smearing scheme: gaussian (occopt 7), tsmear_eV: 1.088 ================================ Phonon Bands ================================ Number of q-points: 198 Atomic mass units: {13.0: 26.981539} Has non-analytical contribution for q --> 0: False ============================== E-PH calculation ============================== K-mesh for electrons: mpdivs: [12 12 12] with shifts [[0. 0. 0.]] and kptopt: 1 a2f(w) on the [4 4 4] q-mesh (ddb_ngqpt|eph_ngqpt) Isotropic lambda: 0.22, omega_log: 0.030 (eV), 348.241 (K) a2f(w) Fourier interpolated on the [16 16 16] q-mesh (ph_ngqpt) Isotropic lambda: 0.24, omega_log: 0.030 (eV), 343.427 (K)
| .. code-block:: default from abipy import abilab import abipy.data as abidata phdos_path = abidata.ref_file("al_161616q_PHDOS.nc") ncfile = abilab.abiopen(abidata.ref_file("al_888k_161616q_A2F.nc")) print(ncfile) #ncfile.phbands.plot() #ncfile.a2f_qintp.plot() #with_lambda = False #fig = ncfile.a2f_qcoarse.plot_nuterms(with_lambda=with_lambda, show=False) #ncfile.a2f_qintp.plot_nuterms(axmat=fig.axes, with_lambda=with_lambda) #ncfile.plot() ncfile.plot_with_a2f(phdos=phdos_path) ncfile.plot_eph_strength(what="gamma") #ncfile.plot_eph_strength(what="lambda") ncfile.plot_a2f_interpol() # Grid with 3 plots (a2F, F, a2F) with F taken from PHDOS file. #ncfile.a2f_qintp.plot_a2(phdos_path) .. rst-class:: sphx-glr-timing **Total running time of the script:** ( 0 minutes 4.533 seconds) .. _sphx_glr_download_gallery_plot_a2f.py: .. only :: html .. container:: sphx-glr-footer :class: sphx-glr-footer-example .. container:: binder-badge .. image:: images/binder_badge_logo.svg :target: https://mybinder.org/v2/gh/abinit/abipy/gh-pages?filepath=notebooks/gallery/plot_a2f.ipynb :alt: Launch binder :width: 150 px .. container:: sphx-glr-download sphx-glr-download-python :download:`Download Python source code: plot_a2f.py ` .. container:: sphx-glr-download sphx-glr-download-jupyter :download:`Download Jupyter notebook: plot_a2f.ipynb ` .. only:: html .. rst-class:: sphx-glr-signature `Gallery generated by Sphinx-Gallery `_