课程内容

日程

 

Day 1: Revision: Space-group Symmetry

Session

Oct 19(Day 1)

Content

Morning session (2 hours,20 minutes break):9:00-11:30

Matrix calculus applied to crystallography. Matrix-column presentation of symmetry operations(Lecture 1)
Afternoon session (2 hours):13:00-15:00

Group-subgroup relationships of point groups(Lecture 3)

tutorials (2 hours):15:30-17:30

(i) Exercises on Symmetry Operations(Tutorial 1)

(ii) Exercises on group-subgroup symmetry relations(Tutorial 3)

Day 2: Symmetry Relations of Crystallographic Groups

Session

Oct 20(Day 2)

Content
Morning session (2 hours,20 minutes break):9:00-11:30

Space-group symmetry1. Space-group descriptions in ITA (Lecture 2a) 

Afternoon session (2 hours):13:00-15:00 Space-group symmetry2:Coordinate transformations(Lecture 2b)
Tutorials (2 hours):15:30-17:30

(i) Hands-on session with Bilbao Crystallographic Server (BCS) :computer databases and tools related to space-groups programs (GENPOS, WYCKPOS, SYMMETRY OPERATION,etc.)(Tutorial 2)

(ii) BCS:Hands-on session :computer databases and tools related to different descriptions (settings) of space-groups (GENPOS, WYCKPOS,etc.)(Tutorial 2)

Day 3: Symmetry Relations of Space Groups

Session

Oct 21(Day 3)

Content
Morning session (2 hours,20 minutes break):9:00-11:30 Group-subgroup relationships of space groups(Lecture 4a)
Afternoon session (2 hours):13:00-15:00 Applications of Symmetry Relations between Space Groups(Lecture 4b)
Tutorials (2 hours):15:30-17:30 BCS: Hands-on session with the computer databases and computer tools in the study of group-subgroup relations of space groups (SUBGROUPGRAPH, HERMANN, WYCKSPLIT, MINSUP, SUPERGROUPS)(Tutorial 4a and 4b)

Day 4 Symmetry Relations between Crystal Structures

Session

Oct 22(Day 4)

Content
Morning session (2 hours,20 minutes break):9:00-11:30 BCS: Hands-on session with the computer databases and computer tools in the study of crystal-structure descriptions (the programs SETSTRU, COMPSTRU, EQUISTRU)(Lecture 5a)
Afternoon session (2 hours):13:00-15:00

BCS: Hands-on session: Structural phase transitions. Symmetry relations between crystal structures. Family (Baernighausen) trees (STRUCTURE RELATIONS), program PSEUDO.(Lecture 5b)