alpha is an input parameter (case.inhf) and you can set any value you want.
But make sure you have a good reason to set it to something specifically.
Am 23.05.2021 um 08:17 schrieb hajar.nejatip...@yahoo.com:
Hello,
I have a question about hybrid functionals in Wien2k.
As written in user guide, there are two possible choices for alpha
parameter in LDA-Fock alpha hybrid functional, alpha=0.35 and alpha=0.5.
I want to know, is it possible to select different alpha values in
LDA-Fock alpha functional or not?
Thank you for your response in advance.
Bests
_______________________________________________
Wien mailing list
Wien@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: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
-------------------------------------------------------------------------
_______________________________________________
Wien mailing list
Wien@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
