Open Knowledge Programme 8 Spin-Orbit Coupling in SIESTA: Magnetism and Other Capabilities

OK Program 8:
Spin-Orbit Coupling in SIESTA: Magnetism and Other Capabilities

June, 2018. Promoted by the ICN2 Theory and Simulation Group.

This module of the Open Knowledge Programme (OKP) outlined how to perform first principles calculations of any magnetic/nonmagnetic system in which spin-orbit coupling (SOC) is relevant using the SIESTA code. This allowed participants to describe the influence of SOC on the electronic structure of the materials, extracting different properties from the SIESTA output files. Participants also acquired a basic knowledge of the theoretical models on which the calculations are based.

The event was held in the context of the MaX Center of Excellence in "Materials Design at the Exascale" program.

• Lecture 1: Non-collinear magnetism
  Speaker: Dr Ramón Cuadrado, ICN2 Theory and Simulation Group.
• Lecture 2: Spin-Orbit Coupling (SOC) in SIESTA. Some examples.
  Speaker: Dr Ramón Cuadrado, ICN2 Theory and Simulation Group.