Re: [SIESTA-L] DFT-D3 in Siesta package

[Daniel Bennett]

You can check the list of vdW functionals in the siesta manual:

https://departments.icmab.es/leem/SIESTA_MATERIAL/Docs/Manuals/siesta-4.1-b4.pdf

pages 48-49

Daniel Bennett

From: siesta-l-requ...@uam.es  on behalf of Mahbubeh 
Amiri 
Sent: 25 January 2023 05:43
To: siesta-l@uam.es 
Subject: [SIESTA-L] DFT-D3 in Siesta package

You don't often get email from amirimahbu...@gmail.com. Learn why this is 
important

Dear siesta users


Does support DFT-D3 model of Grimme in siesta package?

-- 
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)

Re: [SIESTA-L] DFT-D3 in Siesta package

[Nick Papior]

Yes!

The latest development included this:
https://urldefense.com/v3/__https://gitlab.com/siesta-project/siesta/-/merge_requests/70__;!!D9dNQwwGXtA!Q99mAou4w_f6DS5APAYiRuFOwHe_dR4vyLSsRG6A9YjMGfDR6qQ-in8aTdRcju9oCo2JHrn_QylshcJ7Qw$
 

The next major release will have this enabled!

Den ons. 25. jan. 2023 kl. 22.04 skrev Mahbubeh Amiri <
amirimahbu...@gmail.com>:

> Dear siesta users
>
> Does support DFT-D3 model of Grimme in siesta package?
>
>
> --
> SIESTA is supported by the Spanish Research Agency (AEI) and by the
> European H2020 MaX Centre of Excellence 
> (https://urldefense.com/v3/__http://www.max-centre.eu/__;!!D9dNQwwGXtA!Q99mAou4w_f6DS5APAYiRuFOwHe_dR4vyLSsRG6A9YjMGfDR6qQ-in8aTdRcju9oCo2JHrn_QyltKRumcA$
>  )
>


-- 
Kind regards Nick

-- 
SIESTA is supported by the Spanish Research Agency (AEI) and by the European 
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)