[Wien] GLLB-SC

[Peter Blaha]

Yes.

Just do it the normal way, but add the discontinuity correction as 
scissors shift in case.inkram.
Eps_2 (case.epsilon) will then have the proper gap and eps_1 will also 
include the correct gap.
Only case.joint (unbroadenend eps_2) does not include the disc.corr. and 
needs to be shifted manually.

Am 12.01.2020 um 13:08 schrieb Wien2k User:
> Dear wien2k users,
> 
> is there a way to calculate the dielectric function with GLLB-SC?
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 

-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha-------------------------------------------------------------------------