Dear Juliana
They should be, afaik.
Have you tried with a simple system?
HTH
Giuseppe
On Wednesday, April 08, 2015 06:48:09 PM Juliana Morbec wrote:
> Dear All.
>
> I would like to know, please, if hybrid functionals (HSE or PBE0) are
> implemented in vc-relax calculations.
>
> Thank you,
>
>
Dear Juliana, there is at least a partial implementation of stress
calculations but I am not sure if it has been ever tested properly.
Cheers
Layla
2015-04-08 20:48 UTC+02:00, Juliana Morbec :
> Dear All.
>
> I would like to know, please, if hybrid functionals (HSE or PBE0) are
> implemented in
Dear All.
I would like to know, please, if hybrid functionals (HSE or PBE0) are
implemented in vc-relax calculations.
Thank you,
Juliana Morbec
Postdoctoral Researcher
Institute for Molecular Engineering
The University of Chicago
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