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force symmorphic

Posted: Sun Apr 06, 2014 11:23 am
by samaneh
Hi there,
Would you please explain why we use "force_symmorphic= .true." in the scf and nscf calculations (pwscf) for running yambo???
Thanks
S. Ataei, PhD student of Condensed matter, University of Tehran, Iran

Re: force symmorphic

Posted: Sun Apr 06, 2014 1:52 pm
by Daniele Varsano
Dear Samaneh,
this is simply because non-symmorphic symmetries, as fractional translations, are not supported.
If you do not put this keyword, you can have non-uniform q-grids and these are not supported by yambo.
Best,
Daniele