PW users please read: non symmorphic symmetries

Come here to discuss issues with using the p2y converter from PWscf to Yambo, how to best run PWscf , link with the IOTK library, and so on.

Moderator: Conor Hogan

Forum rules
Before posting, make sure to first read carefully all the detailed steps and suggestions given in the main documentation:

PW users please read: non symmorphic symmetries

Postby andrea marini » Wed Apr 01, 2009 9:34 am

Yambo can work only by using symmorphic symmetries.

We will add a run-time check in order to prevent the use of translations. But, in the meantime, be careful and check ALWAYS that your symmetry group does not contain translations.
Istituto di Struttura della Materia, CNR, (Italy)
User avatar
andrea marini
Posts: 447
Joined: Mon Mar 16, 2009 4:27 pm

Re: PW users please read: non symmorphic symmetries

Postby claudio » Mon Jun 22, 2009 9:54 am

In the new version of PWSCF, still in CVS, it has been introduced
a new input variable force_symmorphic to force the symmetry group to be symmorphic by disabling symmetry operations
having an associated fractionary translation. This flag has to be set .true. for all calculations with YAMBO.
Claudio Attaccalite
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
web site:
Freely download scientific books from:
User avatar
Posts: 217
Joined: Tue Mar 31, 2009 11:33 pm

Return to PW

Who is online

Users browsing this forum: No registered users and 1 guest