[Wien] Whether Hartree-Fock exchange Alpha is a tunable parameter?

[shamik chakrabarti]

Dear Prof. Tran,

                  Thank you so much. It will be very useful.

with regards,

On Tue, 31 Jan 2023 at 15:49, <fabien.tran at vasp.at> wrote:

> Yes, alpha is quite often considered as a tunable parameter. A certain
> number of papers on that topic have been published, e.g.,
> https://aip.scitation.org/doi/10.1063/1.4722993
>
> More papers can be found with google (https://www.google.com) with
> keywords like "hybrid functionals" and "fraction of Hartree-Fock".
>
> On 31.01.2023 10:29, shamik chakrabarti wrote:
> > Dear Wien2k users,
> >
> >                          Whether Hartree-Fock exchange Alpha is a
> > tunable parameter? Can we change the parameter to see that at which
> > value of Alpha, the experimental result matches with simulation?
> > Especially when with Alpha=0.25 the calculation diverges!
> >
> > Looking forward to hearing from you.
> >
> > with regards
> >
> > --
> >
> > Dr. Shamik Chakrabarti
> > Research Fellow
> > Department of Physics
> > Indian Institute of Technology Patna
> > Bihta-801103
> > Patna
> > Bihar, India
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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