[Pw_forum] Hybrid functional pressure

[Axel Kohlmeyer]

On Wed, Dec 14, 2011 at 12:34 PM, Azadi, Sam <azadi at uni-mainz.de> wrote:
> Dear QE users,
>
> As it's written in README file of EXX_examples directory, corresponding formula of stress calculation
> using hybrid functionals have not yet been coded in quantum espresso.
> But by choosing "tstress = .true." in scf input file, there is a value for stress in scf output file.
> My question is, is it reliable ?

how can it be, if the exact exchange contribution is missing?

axel.


>
> Yours
> S.A
>
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-- 
Dr. Axel Kohlmeyer
akohlmey at gmail.com  http://goo.gl/1wk0

College of Science and Technology
Temple University, Philadelphia PA, USA.