{
  "cells": [
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
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      },
      "outputs": [],
      "source": [
        "%matplotlib inline"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "\n# ElectronBandsPlotter\n\nThis example shows how to plot several band structures on a grid\n\nWe use two GSR files:\n\n    si_scf_GSR.n: energies on a homogeneous sampling of the BZ (can be used to compute DOS)\n    si_nscf_GSR.nc: energies on a k-path in the BZ (used to plot the band dispersion)\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "from abipy.abilab import ElectronBandsPlotter\nfrom abipy.data import ref_file\n\n# To plot a grid with two band structures:\nplotter = ElectronBandsPlotter()\nplotter.add_ebands(\"BZ sampling\", ref_file(\"si_scf_GSR.nc\"))\nplotter.add_ebands(\"k-path\", ref_file(\"si_nscf_GSR.nc\"))\n\n# Get pandas dataframe\nframe = plotter.get_ebands_frame()\nprint(frame)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "To create a grid plot use:\n\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "plotter.gridplot(with_gaps=True)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "To plot a grid with band structures + DOS, use the optional argument `edos_objects`\nThe first subplot gets the band dispersion from eb_objects[0] and the DOS from edos_objects[0]\nedos_kwargs is an optional dictionary passed to `get_dos` to compute the DOS.\n\n\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "eb_objects = 2 * [ref_file(\"si_nscf_GSR.nc\")]\nedos_objects = 2 * [ref_file(\"si_scf_GSR.nc\")]\n\nplotter = ElectronBandsPlotter()\nplotter.add_ebands(\"Si\", ref_file(\"si_nscf_GSR.nc\"), edos=ref_file(\"si_scf_GSR.nc\"))\nplotter.add_ebands(\"Same data\", ref_file(\"si_nscf_GSR.nc\"), edos=ref_file(\"si_scf_GSR.nc\"))\n# sphinx_gallery_thumbnail_number = 2\nplotter.gridplot()"
      ]
    }
  ],
  "metadata": {
    "kernelspec": {
      "display_name": "Python 3",
      "language": "python",
      "name": "python3"
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        "version": 3
      },
      "file_extension": ".py",
      "mimetype": "text/x-python",
      "name": "python",
      "nbconvert_exporter": "python",
      "pygments_lexer": "ipython3",
      "version": "3.8.0"
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