The ABINIT Users Mailing List ( CLOSED )

[Yann Pouillon <yann.pouillon@ehu.es>]

Hi,

Yaroslav Shtogun <yshtogun@cas.usf.edu> ha escrito:

> Dear Abinit Users,
> I try to perform DFT calculations of CNT, which will take into   
> account Van der
> Waals interaction as well. I wonder if Abinit incorporates Van der Waals
> interaction. I heard that there is ACFDT theorem (Adiabatic
> Fluctuation-Dissipation Theorem) to account such interaction. Has it been
> implemented in Abinit?

There is some ACFD inside Abinit, that works for particular cases, but  
as far as I know, what you want to do is clearly not possible.

Best regards,

Yann.

--
Yann Pouillon               European Theoretical Spectroscopy Facility (ETSF)
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