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SPR-KKR Hands On course 2016 (No replies)

Martin Lueders
12 months ago
Martin Lueders 12 months ago

SPR-KKR Hands On course 2016

Daresbury Laboratory, 14-17 November 2016

 

The aim of the course is to introduce theoreticians as well as experimentalists into the KKR bandstructure method and its use to calculate various electronic and magnetic properties of magnetic solids (see also the Ψk highlight).

Emphasis will be put on the fully relativistic formulation, on the implementation of clusters, surfaces and ordered as well as disordered solids, on linear response phenomena and on the calculation of spectroscopic processes and magnetic properties. In addition to the general features of the code, particular focus of the course will be on calculation of magnetic properties, such as exchange couplings and magnetic anisotropies, as well as applications to angle resolved photoemission spectroscopy (ARPES) experiments based on a one step model will be the focus of this course.

To understand and comprehend the formal background and technical details of the KKR method several lectures on corresponding topics will be given by our speakers. For direct applications the first sessions will be devoted to introduce the Munich SPR-KKR program package, including its graphical user interface called xband. The participants will individually work with the various calculation possibilities of SPR-KKR while being guided by tutors. These sessions are meant in particular to introduce the field to inexperienced users, but also more adapted users will have the opportunity to discuss individual problems with the tutors and authors of SPR-KKR.

The course will be held at Daresbury Laboratory in collaboration with the COST Action EUSpec "Modern Tools for Spectroscopy on Advanced Materials: a European Modelling Platform" (EUSpec.eu) as well as the UK collaborative computational projects CCP9 (http://www.ccp9.ac.uk) and CCP-mag (http://www.ccp-mag.ac.uk). There will be a small fee of £50 for the course.

The registration for the course and further information can be found on the following web page:

https://eventbooking.stfc.ac.uk/news-events/spr-kkr-hands-on-course-2016



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Ab initio (from electronic structure) calculation of complex processes in materials