Preparations

In general, all the tutorials require a working Python environment and ASE installation. See each tutorial for specific preparation instructions.

Tutorials

Cluster expansions with icet

Mattias Ångqvist and Magnus Rahm

Crystal symmetry in ASE and spglib

Adam J. Jackson

DFTB with ASE: From Zero to Hero

Maxime Van den Bossche

Force constant extraction with hiphive

Erik Fransson and Fredrik Eriksson

Phonopy calculations with FHIvibes

Florian Knoop

Studying configurational thermodynamics of alloys using the CLEASE

Jin Hyun Chang