[DFTB-Plus-User] Fractionally occupied states not currently supported for range separated linear response excitations

Bálint Aradi aradi at uni-bremen.de
Mon Nov 9 17:31:29 CET 2020


Dear Toufik,

> I am calculating excited states including rang separated hybrid
> functional. But I am getting the following error:
> "Fractionally occupied states not currently supported for range
> separated linear response excitations"

> Could you help with this isuue

We don't have that feature implemented yet. We hope to have it in one of
the releases next year, but as always it strongly depends on the
availabilty of human resources.

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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