[Pw_forum] Van der Waals interactions

[ashkan shekaari]

Dear Eliya,

you have to set vdw_corr value in &SYSTEM namelist.

*--*
*Best,*
*Ashkan Shekaari*
*Plasma Physics Research Center*
*Science and Research Branch*
*I A U, 14778-93855 Tehran, Iran.*

On Sun, Oct 9, 2016 at 4:20 PM, Eliya Asmani <eliya6191 at gmail.com> wrote:

> Dear all
>
> I want to consider the Van der Waals (vdw) interactions in my
> calculations. I'm using LDA (with Perdew-Zunger parametrization) pseudo
> potential and also 5.2.1 version of quantum espresso.
>
> It is OK to use input_dft = 'vdw-df' in input file or another functionals can be found in this file:
>
> "Modules/funct.f90"
>
> Thanks
>
> Eliya Asmani,
> Postdoctoral Researcher
> School of Physics, Institute for Research in Fundamental Sciences (IPM)
> Tehran, Iran
>
>
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