Al Tutorial

The Jupyter Notebook for this tutorial can be found in the examples/Al directory of the DFTTK repository. Before starting this tutorial, ensure the following prerequisites are completed:

• Install DFTTK: DFTTK GitHub Repository

• Install YPHON: YPHON GitHub Repository

• Set up POTCAR for pymatgen: Follow the instructions at pymatgen POTCAR Setup

Import Necessary Libraries

Before running the tutorial, ensure the required libraries are imported. Use the following code:

# Enable automatic reloading of modules
%reload_ext autoreload
%autoreload 2

# Standard Library Imports
import os
import subprocess

# Third-Party Library Imports
import numpy as np
import plotly.graph_objects as go

# DFTTK Imports
from dfttk.config import Configuration
from dfttk.plotly_format import plot_format