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

[fabien.tran at vasp.at]

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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