[Pw_forum] vdW force in mm_dispersion.f90 and Van der Waals functional

[Emine Kucukbenli]

Dear Yukihiro Okuno,
I don't know about the mm_dispersion part, however, as far as I know,  
reliable force&stress calculations with the vdW-DF are implemented in  
the CVS version.

emine kucukbenli, phd student, sissa, italy

Quoting yukihiro_okuno at fujifilm.co.jp:

>
>
> And  in CVS version of PWSCF implementation of  vdW functional in vDW_DF
> Modules,
>
> it seems there is a stress calculation function, but still  no force
> calculation function
>
> within non-local vdW functional.  Are there plan to implement the force
> from vdW
>
> interaction within SCF scheme.
>
>
> Sincerely.
>
> Yukihiro Okuno.
>


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