***TENTATIVE AGENDA***
Monday July 20 [101 Science Dr., Fitzpatrick B 1466 ]
|
Time |
Event |
Presenter |
|
8:30 – 9:00am |
Registration and set-up |
|
|
9:00 – 9:15am |
Welcome and workshop overview |
|
|
9:15-10:15am |
Overview of ORNL neutron facilities and instruments |
Clarina dela Cruz [Open] |
|
10:15 – 10:45am |
Proposal writing for neutron beamtime at ORNL |
Clarina dela Cruz [Open] |
|
10:45 – 11:00am |
Break |
|
|
11:15 – 12:30 |
Neutron scattering as a tool for magnetic structure determination |
William Ratcliffe [Open] |
|
12:30– 1:30 pm |
Working LUNCH: Overview of software tools for magnetic diffraction |
Ovi Garlea |
|
1:30 – 2:30 pm |
Overview of magnetic structures (Ireps vs MSG and spinSG) – Part 1 |
Andrew Wills |
|
2:30 – 3:30pm |
Overview of magnetic structures (Ireps vs MSG and spinSG) – Part 2 |
Andrew Wills |
|
3:30 – 3:45pm |
Break |
|
|
3:45 – 5:15 pm |
Introduction to Fullprof / Example of Fullprof refinement of commensurate structure from CW powder diffraction data -part 1 (refining crystal structure) |
Stuart Calder |
Tuesday July 21 [100 Science Dr., Hudson Hall 207]
|
Time |
Event |
Presenter |
|
8:30 – 9:00 am |
Questions from previous day |
Everyone |
|
9:00 – 10:30 am |
Overview of SARAh for representation analysis – part 1 |
Andrew Wills |
|
10:30 – 10:45 am |
Break |
|
|
10:45 – 12:00 am |
Overview of SARAh for representation analysis – part 1 |
Andrew Wills |
|
12:00 – 1:00 pm |
Working LUNCH (Lightning science talks) |
12:00 – 1:00 pm |
|
1:00 – 2:00 pm |
Overview of Bilbao Crystallographic server: MAXMAGN, MVISUALIZE, k-SUBGROUPSMAG, MAGNDATA database etc |
Stuart Calder |
|
2:00 – 3:15 pm |
Hands-on example of Fullprof refinement of commensurate structure from CW powder diffraction data [Fullprof/SARAh] -part 2 |
Stuart Calder |
|
3:15 – 3:30 pm |
Break |
|
|
3:30 – 5:30 pm |
Hands-on example: Example of Fullprof refinement of commensurate structures from CW powder diffraction data [Fullprof & Magnetic Space Groups] -part 3 |
Stuart Calder |
Wednesday July 22 [100 Science Dr., Hudson Hall 207]
|
Time |
Event |
Presenter |
|
8:30 – 9:00 am |
Questions from previous day |
Everyone |
|
9:00 – 10:30 am |
Hands-on example: Fullprof refinement of commensurate structure from TOF data (Fullprof/ SARAh) |
Danielle Yahne |
|
10:30 – 10:45 am |
Break |
|
|
10:45 – 12:00 pm |
Hands-on example: Fullprof refinement of commensurate structure from TOF data (Fullprof/Magnetic Space groups) |
Danielle Yahne |
|
12:00 – 1:00 pm |
Working LUNCH How to report magnetic structures using the guidelines in publications and how to submit mcif files to MAGNDATA |
Ovi Garlea |
|
1:00- 1:45pm |
Introduction to ISOTROPY and use with Fullprof |
Ovi Garlea |
|
1:45- 2:15pm |
Symmetry of incommensurate magnetic structures: magnetic superspace groups in Fullprof |
Ovi Garlea |
|
2:15 – 2:30 pm |
Break |
|
|
2:30 – 4:00 |
Hands-on example: Fullprof incommensurate structure from powder data (Fullprof & Super Space Groups & Rep. analysis) |
Ovi Garlea |
|
4:00 – 5:30 pm |
Multi-k magnetic structures from powder data and multi-magnetic domains and multi-k in fitting single-crystal data |
Ovi Garlea |
|
5.30 – 6.00pm |
Student questions from the day |
EVERYONE |
Thursday July 24 [100 Science Dr., Hudson Hall 207]
|
Time |
Event |
Presenter |
|
8:30 – 9 am |
Questions from previous day |
Everyone |
|
9:00 – 10:00 am |
Fullprof refinement of single crystal data (commensurate structure with magnetic space group approach/rep analysis ). |
Yiqing Hao |
|
10:00 – 10:45 am |
Fullprof refinement of single crystal data (incommensurate structure with magnetic space group approach/rep analysis ). |
Yiqing Hao/Huibo Cao |
|
10:45 – 11:00 am |
Break |
|
|
11:00 – 12:15 pm |
Introduction to JANA and refinement of time of flight single crystal data |
Huibo Cao |
|
12:15 -1:15pm |
Working LUNCH (Discuss and complete Jana homework) |
Huibo Cao |
|
1:15 – 2:00 pm |
Introduction to GSAS-II & new features |
Keith Taddei |
|
2:00 – 3:30 pm |
Example of GSAS-II refinement of magnetic structure from CW powder data |
Athena Chen |
|
3:30 - 3:45 pm |
Break |
|
|
3:45 – 5:30pm |
Example of GSAS-II refinement of magnetic structure from TOF data (maybe isodistort approach?) |
Keith Taddei |
|
5:30–6:00pm |
CLOSEOUT: Questions and discussion |
EVERYONE |
Friday July 25 [100 Science Dr., Hudson Hall 207]
|
Time |
Event |
Presenter |
|
8:30 – 9 am |
Questions from previous day |
Everyone |
|
9:00 – 10:45 am |
Introduction to Mag2Pol – Part 1 |
Navid Qureshi (Virtual) |
|
10:45 – 11:00 am |
Break |
|
|
11:00 – 12:00 pm |
Introduction to Mag2Pol– Part 2 |
Navid Qureshi (Virtual) |
|
12:00 - 1:00pm |
LUNCH (Discussion of strategies for using all the software) |
Stuart Calder |
|
1:00 - 3:00pm |
Work on your own magnetic structures (Everyone) |
|
|
3:00–3:30pm |
CLOSEOUT: Questions and discussion |
EVERYONE |