[Pw_forum] (no subject)

Paolo Giannozzi giannozz at democritos.it
Fri Jan 27 10:51:22 CET 2012


On Thu, 2012-01-26 at 11:43 +0530, bhabya sahoo wrote:

> is there any space group implementation in espresso?

QE finds and uses the correct crystal symmetry; some
codes also make an attempt to guess what the symmetry 
group is. Currently you cannot specify a space group
and symmetry positions.

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy




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