[Pw_forum] shift kpoint

[ali kazempour]

Dear all
In principle ,where the shift of kpoints is important? I mean which information should we loose when we don't use from shift in our kpoint mesh?
I read in some references that for supercell calculation in defect studies ,they shifts kpoints from the origin to avoid picking up the gamma point as one of the sampling points). does it mean that symmetry reduces this set to a set of points in the irreducible part of BZ?
thanks a lot

Ali Kazempour

Physics department, Isfahan University of Technology

84156 Isfahan, Iran.            Tel-1:  +98 311 391 3733

Fax: +98 311 391 2376      Tel-2:  +98 311 391 2375


      
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