[Pw_forum] Error in User Guide - ibrav

Paolo Giannozzi giannozz at democritos.it
Thu Mar 19 20:31:19 CET 2009

On Mar 19, 2009, at 19:04 , Andre Saraiva wrote:

> the basis vectors for  the Body Centered Tetragonal Bravais Lattice
> are strange. I believe the  correct expression for v1 would be
> v1 = (a/2)(-1,1,c/a)

the choice of crystal axis is not unique. What the documentation says
is consistent, AFAIK, with what the code does. All axis triplets used
by PWscf are right-handed, by the way, while yours is left-handed.

Paolo Giannozzi, Democritos and University of Udine, Italy

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