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JANA2020 Workshop @ MLZ

Europe/Berlin
MLZ

MLZ

Lecture Hall, Institute of Advanced Studies
Anatoliy Senyshyn, Martin Meven (RWTH Aachen University, Institute of Crystallography - Outstation at MLZ)
Description

We would like to announce 3rd Jana workshop in Garching, organised by MLZ Science Group “Structure Research”. After the very successful Jana2006 workshops in 2014  and 2017 we are happy to welcome Vaclav Petricek and colleagues back in Garching.

Main topic: recent developments and functionalities of Jana2020, which is successive continuation and extension of Jana2006 - a crystallographic program dedicated on solution, refinement and interpretation of complex and modulated structures. The program deals with various diffraction data including single crystal and powder data as well as X-rays and neutron as sources, which can be analysed either separately or in combination.Besides the functionalities for structure solution, Jana can handle multi-phase structures (in both powder and single crystal data analysis modes), merohedric twins as well as twins with partial overlap of diffraction spots, commensurate and composite structures. Jana deals with magnetic symmetries and, in general, contains a number of powerful transformation tools for symmetry (group-subgroup relations), cell parameters and commensurate-supercell transformations along with a wide scale of constrains and restrains, rigid body definition and possibility to define a local symmetry affecting only part of the structure. 

Registration
Participants
20 / 20
  • Tuesday 4 October
    • 09:00 09:05
      Welcome 5m

      Welcome block

    • 09:05 09:10
      Organisational details 5m
    • 09:10 09:40
      Dr. M. Dušek (FZU), Introduction to Jana2020 30m
    • 09:40 10:30
      Dr. M. Henriques (FZU), Magnetic symmetry 50m
    • 10:30 10:45
      Coffee break 15m
    • 10:45 12:30
      Practical tutorial, examples from Jana2020 Cookbook 1h 45m

      Example 12.1: Ba5Co5 (powder data, k=(0,0,0))
      Example 12.2: Ba6Co6 (powder data, k=(0,0,1/2))
      Example 12.6: Ba5Co5 (Jana2020-ISODISTORTcommunication)

    • 12:30 13:30
      Lunch break 1h

      Canteen „Crazy Bean“, Institute of Advanced Studies, Lichtenbergstrasse 2a, D-85748 Garching b. München

    • 13:30 15:30
      Continuation: practical tutorial, examples from Jana2020 Cookbook 2h

      Example 12.5: HoNi (single crystal data, k=(0,0,1))
      Example 12.7: DyMn6Ge6 (powder data, k1=(0,0,0) and k2=(0,0,0.1651))

    • 15:30 15:45
      Coffee break 15m
    • 15:45 16:00
      Dr. M. Henriques (FZU), Lattice distortion induced by magnetic order: the case of Cr2WO6“ 15m

      Example 12.8: Cr2WO6 (powder data, k=0)

    • 16:00 18:00
      Continuation: practical tutorial, examples from Jana2020 Cookbook 2h
    • 19:00 22:00
      Joint Dinner at Garchinger Augustiner 3h
  • Wednesday 5 October
    • 09:00 09:45
      Dr. V. Petříček (FZU),Twinned structures in Jana2020 45m
    • 09:45 10:30
      Practical tutorial, examples from Jana2020 Cookbook 45m

      Example 1.1: Zn – solution of a simple structure by Jana2020 to get familiar with an
      interface for standard crystallography

    • 10:30 10:45
      Coffee break 15m
    • 10:45 12:30
      Continuation: practical tutorial, examples from Jana2020 Cookbook 1h 45m

      Example 3.1: AD3 – a simple pseudomerohedric twin
      Example 3.3: CsLiSO4 – a three-fold pseudomerohedric twin with unexpected unit cell
      Example 10.1: AgSbS | Refinement of anharmonic ADPs in Jana2020 
      Finishing workshop examples, discussion of problems, work on user data …

    • 12:30 13:30
      Lunch break 1h

      Canteen „Crazy Bean“,
      Institute of Advanced Studies, Lichtenbergstrasse 2a, D-85748 Garching b. München

    • 13:30 14:30
      Continuation: discussion of user problems ... 1h

      Finishing workshop examples, discussion of problems, work on user data …

    • 14:30 14:35
      Concluding remarks and wrap-up 5m