AIMPRO 2003, Exeter

Current issues and developments in the cluster and supercell codes

Accommodation in Crossmead Conference Centre, as arranged with individual delegates.

Venue - Physics: Room 503

Time			Speaker	Subject
	-	09:00		Arrive at venue

09:00	-	09:10	Bob Jones	Introduction
09:10	-	09:50	Patrick Briddon	An overview of the developments during 2003
09:50	-	10:30	Mike Shaw	Cluster AIMPRO (*)

10:30	-	11:00	Tea/Coffee (Room 503)

11:00	-	11:20	Mark Rayson	Spin-orbit interactions in AIMPRO
11:20	-	11:40	Alberto Zobelli	EELS modelling of nanostructures with CASTEP and AIMPRO - a comparison
11:40	-	12:00	Ben Hourahine	Exact exchange
12:00	-	12:20	Mike Shaw	Core wavefunction reconstruction

12:20	-	14:00	Lunch (Room 503)

14:00	-	14:20	Mike Shaw	Lattice definitions - the advantages over the old method (*)
14:20	-	14:40	Patrick Briddon	Self-consistency issues (*)
14:40	-	15:00	Patrick Briddon (on behalf of JH)	AIMVIEW (*)
15:00	-	17:00	Workshop session I (including tea/coffee)
17:00	-	17:30	Open session I

19:00	-		Meeting dinner - Crossmead

Venue - Physics: Room 503

Time			Speaker	Subject
09:00	-	09:20	Patrick Briddon	How to get more speed out of AIMPRO
09:20	-	09:40	Ben Hourahine	k-point sampling method
09:40	-	10:00	James Adey	Pseudopotential (and basis) data-base
10:00	-	10:20	Ahlam El-Barbary	Vacancy cluster in irradiated graphite: co-planar vacancy aggregation and dimensional change

10:30	-	11:00	Tea/Coffee (Room 503)

11:00	-	11:30	Mike Shaw and Bob Jones	Rare earths - open f-shell atoms
11:30	-	11:50	Chris Ewels	AIMPRO modelling of extrinsic defects in carbon nanotubes
11:50	-	12:10	Patrick Briddon	Hardware issues
12:10	-	12:30	Mike Wardle	Disilicide precipitates in silicon

12:30	-	14:00	Lunch (Room 503)

14:00	-	16:00	Workshop session II

16:00	-	16:30	Tea/Coffee

16:30	-	17:30	Open session II and close

Each talk is a platform for open forum discussions, and timings may well be adjusted ad hoc.

(talks marked (*) have tutorial exercises associated with them)