Table 1. Types of entropy, related properties and how they can be accounted for computationally.

Entropy	Properties	Calculation
Configurational	Bandgap; magnetic ordering; thermal conductivity; phase stability; electronic polarisation	Cluster expansion; special quasirandom structures; small set of ordered structures; lattice Monte Carlo
Vibrational	Bandgap; phase stability; thermal conductivity; vibrational spectra	Lattice dynamics; molecular dynamics
Rotational	Phase stability; thermal conductivity; electrical polarisation	Molecular dynamics; nudged elastic bands