Tutorials

Important

Before you get started, make sure that you have:

• installed the aiida-quantumespresso package (see instructions)

• configured the pw.x code (see instructions)

• installed the SSSP pseudopotential family (see instructions)

Quick start: Running your first pw.x calculation

If you haven’t already, go through the quick start tutorial. Here you’ll learn the basics on how to run the Quantum ESPRESSO pw.x code with AiiDA.

30 min

Beginner

Magnetic configurations

Learn how to assign magnetic configurations to your structure, and retrieve the final magnetic configuration from a pw.x calculation.

20 min

Beginner

Hubbard corrections

Learn how to define the Hubbard parameters along with your structure, and run a DFT+U+V calculation using the pw.x binary.

30 min

Beginner