On Wed, 2012-01-11 at 10:48 +0000, Abdeslam Houari wrote: > How to do it in PW-scf (QE-4.3.2) ? I didn't find it in the INPUT-PW > or somewhere else ! you cannot do it with PWscf. You can do it with CP. P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy