Programación

Alojamiento

  • Hotel Aisia Emperatriz Zita

    The International School will be held in the Conference Hall of the Hotel Aisia Emperatriz Zita in Lekeitio a small fishers town on the coast of the Basque Country, about 60 Km west from Bilbao. The participants will be accommodated in the same hotel.

    Avda. Santa Elena s/n
    Lekeitio (Bizkaia)
    Tel: 94 684 26 55
    Fax: 94 624 35 00

    zita@aisiahoteles.com

    http://www.aisiahoteles.com/zita.asp

    It is planned that participants arrive at Lekeitio on Sunday, June 21st, with lectures starting in the morning of June 22nd. The School finishes in the late afternoon of June 26th. Hotel departure is scheduled for the morning of Saturday, June 27th.

Programación

21-06-2009

08:30

  • Welcome reception

22-06-2009

09:00

  • Opening of the School

09:30

  • Lectures and Practical: 
    1. Space-group symmetry databases (International Tables for Crystallography, Volume A: Space-group symmetry): symmetry operations: matrix-column presentation; geometric interpretation; generation of space groups; generators and general positions, Wyckoff positions; special Wyckoff positions, site symmetry.
    2. Coordinate transformations: origin shift and change of the bases; conventional and non-conventional descriptions of space groups; ITA-settings.
    3. Crystal-structure descriptions I. Structure tools on BCS for crystal-structure descriptions. Basis transformations and crystal-structure descriptions (the program TRANSTRU). Descriptions of crystal structures with respect to different ITA settings of the space groups (the program SETSTRU). Transformation of the unit cell parameters under change of the basis (the program CELLTRAN).
    4. Crystallographic data for subperiodic groups (International Tables for Crystallography, Volume E: Subperiodic groups): rod and layer groups

11:30

  • Lectures and Exercises: 
    The Bilbao Crystallographic Server II. Group-subgroup relations.

    Group-subgroup relations (general considerations): index, coset decomposition and normal subgroups; conjugate elements and conjugate subgroups; factor groups and homomorphism.

03:00

  • Lectures and Exercises: 
    The Bilbao Crystallographic Server II. Group-subgroup relations.
    1. Group-subgroup relations between space groups: Subgroups of space groups: types of subgroups of space groups; Hermann theorem; maximal subgroups; series of isomorphic subgroups. Relations of Wyckoff positions for a group-subgroup pair. Supergroups of space groups.
    2. Normalizers of space groups; Affine and Euclidean normalizers; Wyckoff sets; Euclidean normalizers for specialized metrics.
    3. Crystal-structure descriptions II. Equivalent crystal structure descriptions; structure descriptions compatible with reduced (subgroup) symmetry. Relations between crystal structures; Baernighausen trees constructions.

05:30

  • Practical: 
    Maximal subgroups data and related computer applications in BCS:
    1. Introduction and use of the databases of the Bilbao Crystallographic server of maximal subgroups, series of isomorphic subgroups and minimal supergroups.
    2. Group-subgroup relations between space groups: computer programs on the Bilbao Crystallographic Server:
      • basic programs: SUBGROUPGRAPH and HERMANN.
      • Graph of maximal subgroups for a general group-subgroup pair; Hermann theorem: twins and antiphase domains; coset decomposition.
      • Symmetry relations between Wyckoff positions for group-subgroup pairs (the program WYCKSPLIT).
      • Computer programs for determination of structure relationships: CELLSUB and COMMONSUB.
    3. Supergroups of space groups: computer tools for their calculation (the programs MINSUP, SUPERGROUPS, CELLSUP and COMMONSUP).
    4. Structure utilities: equivalent structure descriptions: EQUIVSTRU. Structure descriptions compatible with symmetry reduction: TRANSTRU.

07:30

  • Reception by the Mayor of Lekeitio

09:30

  • Tutorial session (optional): 
    Crystallographic space groups. Symmetry databases of BCS.

23-06-2009

09:00

  • Lectures and Practical: 
    Structural pseudosymmetry and its applications:
    1. The concept of displacive pseudosymmetry.
    2. Applications: detection of overlooked symmetry, prediction of symmetry of other phases, prediction of phase transitions, determination of a parent structure.
    3. Tools for pseudosymmetry search in the Bilbao crystallographic server: PSEUDO, DOPE and BPLOT.
    4. Practical: Exercises using PSEUDO.

11:30

  • Lectures (Y. Kitaev): 
    Relations between crystal structures. Baernighausen trees of crystal families

12:30

  • Practical (Y. Kitaev): 
    Computer tools on BCS for the study of crystal-structure relationships.

03:00

  • Lectures and Practical (M. Nespolo): 
    Twin symmetry analysis.

05:30

  • Lectures and Practical (G. Chapuis): 
    Online teaching aids for Crystallography.

09:30

  • Tutorial session (optional): 
    Subgroups of space groups. Group-subgroup suite of BCS.

24-06-2009

09:00

  • Lectures and Exercises: 
    Representations of crystallographic groups.
    1. General remarks on representations: equivalent representations, reducible and irreducible representations (irreps).
    2. Irreps of Abelian groups: cyclic groups and direct products of cyclic groups; irreps of non-Abelian point groups.
    3. Subduced and induced representations.

10:30

  • Practical: 
    Point group representations: database of BCS.

11:00

  • Lectures and Practical: 
    Representations of space groups:
    1. Irreps of the translation group; little co-group, little group and star of a k-vector; little-group irreps, induction procedure.
    2. Correlations between representations of group-subgroup related space groups
    3. Direct product of representations.

    Databases of representations of crystallographic groups of the Bilbao Crystallographic Server:

    1. Representations of point groups.
    2. Brillouin-zone database: short introduction to the crystallographic classification of wave-vector (k-vector) types; description of the database.

    Computer tools for space-group representations on the Bilbao Crystallographic Server:

    1. Program for irreps of space groups: REPRES.
    2. Correlations between irreps of group-subgroup pair: CORREL.
    3. Direct product of irreps of space groups: DIRPRO.

02:30

  • Free afternoon: Possibilities for excursions.

25-06-2009

09:00

  • Lectures (B. Mihailova): 
    Raman and IR spectroscopy in materials science. Symmetry analysis of normal phonon modes.

10:00

  • Practical (B. Mihailova): 
    Computer tools on BCS: Application of the computer program SAM.

11:30

  • Lectures (R. Evarestov): 
    Site-symmetry in crystals: basis of the theory and application for the electron and phonon states of crystals.

12:30

  • Practical (R. Evarestov): 
    Site-symmetry approach using the computer tools on BCS.

03:00

  • Lectures and Practical: 
    Symmetry considerations in structural phase transitions. Ferroics.

05:30

  • Lectures and Practical: 
    Symmetry mode analysis in the Bilbao Crystallographic Server: The program AMPLIMODES.

09:30

  • Tutorial session (optional): 
    Representations of crystallographic point and space groups.

26-06-2009

09:00

  • Lectures and Practical (J. Rodríguez-Carvajal): 
    Structure refinement with symmetry-adapted modes: FULLPROF+AMPLIMODES.

11:30

  • Lectures and Practical (H. Stokes): 
    ISODISPLACE: software designed for interactively computing and exploring structural distortions.

03:00

  • Lectures (M. Catti): 
    Phase transitions with no group-subgroup relations between the phases:
    1. Maximal symmetry transition paths; symmetry and structure criteria.
    2. Conditions on lattice strain and atomic shifts; the energy factor.

04:00

  • Practical (M. Catti): 
    Computer tools on BCS for the analysis of phase transitions with no group subgroup relations between the phases: COMMONSUBS, WYCKSPLIT and TRANSPATH.

05:30

  • Lectures: 
    The program NEUTRON: Phonon selection rules for neutron and X-ray inelastic scattering.

06:00

  • Lectures and Practical: 
    Use of the Bilbao Crystallographic Server: Twinned crystals and crystal-chemical relationships.

09:00

  • Farewell dinner