[Pw_forum] Implementation of Van der Waals Interactions

[Biswajit Santra]

Hi Christian,

It will work with norm-conserving pseudo.

Best,

Biswajit Santra
Mobile: +1-609-227-9202
http://www.princeton.edu/~bsantra/

On Wed, May 3, 2017 at 1:18 PM, Christian A. Celaya López <
acelaya at iim.unam.mx> wrote:

> I am a new user of Quantum-Espresso (QE) and I am trying to study the
> adsorption energy of metals Nanostructures in carbon surface. I want to use
> the Van der Waals (vdw) interactions play an important role and I want to
> use Tkatchenko-Scheffler dispersion corrections. But I'm implementing
> Pseudopotential with scalar relativistic and I have the following error:
>
>   ! Error in routine setup (1):
>   !Tkatchenko-Scheffler not implemented with USPP/PAW
>
> I would like to know what kind of Pseudopotential can use with these
> characteristics (scalar relativistic and vdw_corr='Tkatchenko-Scheffler').
>
> Thanks in advance for any help.
>
> Christian A. Celaya
>
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