[Pw_forum] problem with ibrav=13 again
Paolo Giannozzi
giannozz at democritos.it
Wed Feb 4 11:55:55 CET 2009
hania djani-ait aissa wrote:
> I checked the coordinates with an other code (Wien2k)
> where everything seemed, to go well, giving the exact
> number of symmetry operations and the expected structure
which demonstrates nothing, since it is not obvious that
Wien2k and Q-E use the same convention to describe the
case ibrav=13. What Q-E uses is described IN DETAIL in
the documentation. If you have evidence that what the
documentation says is not what the code does, please
provide evidence
Paolo
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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