[Pw_forum] Problem In Creating Proper Structure in Xcrysden

[Paolo Giannozzi]

On Jul 14, 2009, at 9:07 , Neel Singh wrote:

> [..] it is not the same as given in M.-Q.. Cai et al  [...]
>  though I have used the same coordinates as that
> given in the above paper.

this may mean that the conventions for crystal axis used
by PWscf are not the same as those used in that paper.
The former are described in detail in the documentation
and printed on output. The latter I don't know.

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222