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SUMMARY:The Papers of Messrs. Baldereschi\, Monkhorst and Pack. - Andrew M
 orris\, TCM
DTSTART:20080208T160000Z
DTEND:20080208T163000Z
UID:TALK10648@talks.cam.ac.uk
CONTACT:James Kermode
DESCRIPTION:K-point sampling is an important part of electronic structure 
 calculations in periodic systems.  This seminar will discuss the concepts 
 behind k-point sampling\, as described in the papers :  \nA. Baldereschi "
 Mean-Value Point in the Brillouin Zone"\, "_Phys. Rev. B_\, *7*\, 12\, 521
 2 (1973)":http://prola.aps.org/abstract/PRB/v7/i12/p5212_1 and H. J. Monkh
 orst and J. D. Pack "Special points for Brillouin-zone integration" "_Phys
 . Rev. B_\, *13*\, 5188 (1976)":http://prola.aps.org/abstract/PRB/v13/i12/
 p5188_1.  These techniques will be compared using the CASTEP plane-wave DF
 T code.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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