[Pw_forum] 6 symmetry operators not found in MgCl2

[Paolo Giannozzi]

On Mon, 2013-12-23 at 02:23 -0800, david Foster wrote:

> the program report "this is supercell, fractional 
> translations are ignored".
> 
> How can force the program to use them.

you cannot. More exactly: you have to find a way to choose
fractional translations in such a way that the group of
symmetry operations is a group in the mathematical sense
of the term; then implement it. I have never found a safe
and simple way to do that.

P.
-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222