[DFTB-Plus-User] Long-range Corrected Density Functional Tight Binding

Bálint Aradi aradi at uni-bremen.de
Thu Mar 26 12:07:23 CET 2020


Dear Taoufik,

> I am wondering if we can do Long-range Corrected Density Functional
> Tight Binding (LC-DFTB2) with pbc Slater-Koster set?

No, you should use the special lc-parameterization when doing
LC-calculations.

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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