Thank you so much for your response.
On Sunday, May 23, 2021, 10:50:34 AM GMT+4:30, Peter Blaha
wrote:
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 ha
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 n
rather than the popular
HSE?
From: Wien on behalf of
hajar.nejatip...@yahoo.com
Sent: Sunday, May 23, 2021 8:26 AM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] LDA-Fock alpha hybrid functional
Thank you so much for your response.
On Sunday, May 23
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,
4 matches
Mail list logo