[Pw_forum] Van der Waals interaction in PWSCF

[yukihiro_okuno at fujifilm.co.jp]

Dear PWSCF users and developers.

I want to calculate the interaction of molecules which interact

by Van der Waals forces.

And , there are some developments of the treatment of Van der Waals

interaction within density functional theory like,

M.Dion et al    Phys. Rev Lett. vol 92 246401 (2004)
T.Thonhauser et al Phys.Rev.B vol 76 125112 (2007)

and others.

Are there any plan implement such a Van der Waals functional in PWSCF ?

and, in PWSCF there are VdW directory and what this code calculate and

how to use it ?   There are no document in /Docs/INPUT_VdW.

Sincerely,

Yukihiro Okuno.