[Wien] Effect of Alpha in case.ineece

[Laurence Marks]

See J. Ciston, A. Subramanian, D. Kienzle, L. D. Marks, Surface Science 604
(2010) 155. and the references therein,

2010/5/6 Piyush Dua <piyushdua.ph at rediffmail.com>

> Dear Wien users,
>
> I am using PBE-Fock-alpha, in which alpha=0.25 corresponds to PBE0.
> If I increase alpha, in certain cases, I use to get better results.
> For example the band-gap is better.
>
> I would like to know, upto what limit can one extend the alpha and what
> will be the physical explanation of increasing alpha?
>
> Thanking you in anticipation.
>
> With regards,
>
> Piyush Dua
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.
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