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 --- Paolo Giannozzi, Democritos and University of Udine, Italy
