Skip to Content.
Sympa Menu

forum - periodic images

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

periodic images


Chronological Thread 
  • From: pierre.boulenc@isen.fr
  • To: forum@abinit.org
  • Subject: periodic images
  • Date: Fri, 14 Jan 2005 11:00:53 +0100

Hello all,

I'm trying to build a supercell with the PMMA (number 51 in the IT)
symmetries. Unfortunately, I have a set of a few atoms situated on mirror
planes so that they are repeated when applying the PMMA operators.
For example, abinit tells me that "atoms number 59 and 377 are located at the
same point of the unit cell (periodic images are taken into account)".
Is there a way to avoid the creation of the periodic images of only a set of
atoms?

Thanks a lot.

Pierre Boulenc



Archive powered by MHonArc 2.6.16.

Top of Page