{
  "cells": [
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "\n\n# Plotting bandsdosplot\n\nPlotting bandsdosplot example.\n\nFirst download the example files with the code below. Then replace data_dir below.\n\n.. code-block::\n   :caption: Downloading example\n\n   bands_dir = pyprocar.download_example(save_dir='', \n                                material='Fe',\n                                code='vasp', \n                                spin_calc_type='non-spin-polarized',\n                                calc_type='bands')\n\n   dos_dir = pyprocar.download_example(save_dir='', \n                                material='Fe',\n                                code='vasp', \n                                spin_calc_type='non-spin-polarized',\n                                calc_type='dos')\n"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "importing pyprocar and specifying local data_dir\n\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "import os\n\nimport pyprocar\n\nbands_dir = os.path.join(\n    pyprocar.utils.DATA_DIR, \"examples\", \"Fe\", \"vasp\", \"non-spin-polarized\", \"bands\"\n)\ndos_dir = os.path.join(\n    pyprocar.utils.DATA_DIR, \"examples\", \"Fe\", \"vasp\", \"non-spin-polarized\", \"dos\"\n)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {},
      "source": [
        "## Plain mode\nThe keywords that works for bandsplot and dosplot will work in bandsdosplot.\nThese keyword arguments can be set in bands_settings and dos_settings as done below.\n\n\n"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "collapsed": false
      },
      "outputs": [],
      "source": [
        "bands_settings = {\n    \"mode\": \"plain\",\n    \"fermi\": 5.599480,  # This will overide the default fermi value found in bands directory\n    \"dirname\": bands_dir,\n}\n\ndos_settings = {\n    \"mode\": \"plain\",\n    \"fermi\": 5.599480,  # This will overide the default fermi value found in dos directory\n    \"dirname\": dos_dir,\n}\n\npyprocar.bandsdosplot(\n    code=\"vasp\",\n    bands_settings=bands_settings,\n    dos_settings=dos_settings,\n)"
      ]
    }
  ],
  "metadata": {
    "kernelspec": {
      "display_name": "Python 3",
      "language": "python",
      "name": "python3"
    },
    "language_info": {
      "codemirror_mode": {
        "name": "ipython",
        "version": 3
      },
      "file_extension": ".py",
      "mimetype": "text/x-python",
      "name": "python",
      "nbconvert_exporter": "python",
      "pygments_lexer": "ipython3",
      "version": "3.9.20"
    }
  },
  "nbformat": 4,
  "nbformat_minor": 0
}