Cluster expansion construction

This section demonstrates the use of icet for constructing cluster expansion models.

The scripts and database that are used in the following sections can be downloaded as a single zip archive. To this end, run the following command from the command line:

curl -O https://icet.materialsmodeling.org/advanced_topics.zip
unzip advanced_topics.zip

• Training of cluster expansions
• Training with constraints and weights
• Bayesian cluster expansions
• Customizing cluster spaces
• Constituent strain calculations