Page 1 of 1

PW users please read: non symmorphic symmetries

Posted: Wed Apr 01, 2009 9:34 am
by andrea marini
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.

Re: PW users please read: non symmorphic symmetries

Posted: Mon Jun 22, 2009 9:54 am
by claudio
In the new version of PWSCF, still in CVS http://qe-forge.org/snapshots.php?group_id=10, 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.