[Pw_forum] (no subject)

[Paolo Giannozzi]

On Wed, 2013-12-11 at 07:12 -0800, Reza Behjatmanesh-Ardakani wrote:

> 1- For preparing the input file, if you introduce a symmetry in your
> input's structure, only original particles
>     should be defined in the input file. Is it right? 

no: you need to supply all atoms in a unit cell.

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