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Spin-orbit coupling in SIESTA: magnetism and other capabilities – Course

June 20, 2018 - June 22, 2018

ICN2, HR Excellence in research, and MaX organize a course on SIESTA that will outline how to perform first principles calculations of any magnetic/nonmagnetic system in which spin-orbit coupling (SOC) is relevant using the SIESTA code. This will allow you to describe the influence of SOC on the electronic structure of the materials, extracting different properties from the SIESTA output files. You will also acquire a basic knowledge of the theoretical models on which the calculations are based.
Registration is required before 18 June 2018 by sending an e-mail to training@icn2.cat

Aims of the lectures
– Disseminate the new fully relativistic implementation (spin-orbit coupling) and postprocessing tools of SIESTA
– Relate SIESTA’s existing magnetic capabilities with SOC (non-collinear)
– Demonstrate technologically relevant examples (topological insulators, materials for hard drive technologies).

Attendance Prerequisites 
– The participants are required to have a basic knowledge of Solid State Physics
– The participants are required a basic knowledge of command-line use Unix command line
– The participant should bring a laptop with a Linux/MacOS installation (also Windows)
– The participants should, preferentially, have a basic knowledge of any of the available codes for plotting such as gnuplot, Origin, etc.

Recommended Reading
“The SIESTA method for ab initio order-N materials simulation”, José M. Soler, et al, J. Phys.: Condens. Matter 14, 2745 (2002).
SIESTA main web page: https://departments.icmab.es/leem/siesta/Documentation/index.html

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June 20, 2018
June 22, 2018
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