[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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