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Workshop "Spin-orbit effects in molecules a ... (No replies)

7 months ago
rosner 7 months ago

Dear colleagues,

we herewith announce the Workshop

"Spin-orbit effects in molecules and solids: diversity of properties and computational precision"

and the Tutorial "hands-on-FPLO"

in Dresden, Germany, November 13-17, 2017.

Registration deadline is September 30, 2017.


The workshop shall be devoted to the exploration of spin-orbit effects in solids and molecules by DFT and quantum chemical methods and to the related present limits of computational precision. It will consist of invited lectures (morning sessions on Nov. 14-17 and afternoon session on Nov. 17) and of poster presentations (evening session on Nov. 15). The tutorial aims at the introduction of students and interested senior scientists into the handling of new modules of the full-potential local-orbital (FPLO) code and their application to problems of topical interest (afternoon sessions on Nov. 14-16).

For capacity reasons (available terminals in the practical sessions) we have to limit the number of participants in the tutorial to 24. Tutorial attendance will be admitted on a first-come-first-serve basis. Since the tutorial will address advanced and new features of the FPLO code, knowledge of the basic handling of the code is explicitly required. To register for workshop and tutorial attendance, please visit


Topics at the tutorial:

- overview of (new) FPLO features;
- generalized band weights: individual local axes, coherent mixtures,  molecular orbital projectors;
- band unfolding for the interpretation of ARPES data;
- Wannier function primer and band disentangling;
- de Haas - van Alphen module;
- pyfplo: input-management and scripting;
- pyfplo: slabify (slab and surface calculations with Wannier functions);
- pyfplo: topological invariants

Invited speakers at the workshop:

- Peter Blaha, Vienna University of Technology, Austria
- Stefaan Cottenier, Ghent University, Belgium
- Hubert Ebert, Ludwig-Maximilian University Munich, Germany
- Iosif Galanakis, University of Patras, Greece [not yet confirmed]
- Madhav Prasad Ghimire, IFW Dresden, Germany
- Stefan Heinze, University of Kiel, Germany
- Marc Höppner, MPI for Solid State Research Stuttgart, Germany
- Liviu Hozoi, IFW Dresden, Germany
- Oleg Janson, Vienna University of Technology, Austria
- Harald Jeschke, Okayama University, Japan
- Deepa Kasinathan, MPI-CPfS Dresden, Germany
- Stefan Knecht, ETH Zurich, Switzerland
- Eugene Krasovskii, Ikerbasque Bilbao, Spain
- Roman Kuzian, National Academy of Sciences, Kiev, Ukraine
- Axel Lubk, IFW Dresden, Germany [not yet confirmed]
- Ingrid Mertig, Martin-Luther-University Halle-Wittenberg, Germany
- Rajyavardhan Ray, IFW Dresden, Germany
- Ulrich Rößler, IFW Dresden, Germany
- Jan Rusz, Uppsala University, Sweden
- Alexander Tsirlin, Augsburg University, Germany

Accommodation and meals:

Accommodation should be organized by yourself.

Free refreshments will be provided at the conference site during the coffee breaks.

The event is supported by PSIK, MPI-CPfS Dresden, and IFW Dresden.


There will be no conference fee.


We are looking forward to welcoming you at Dresden!

Helge Rosner and Manuel Richter.

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