[Pw_forum] Van der Waals interaction in PWSCF

yukihiro_okuno at fujifilm.co.jp yukihiro_okuno at fujifilm.co.jp
Fri Nov 5 11:20:25 CET 2010


Dear PWSCF users and developers.

Thank you for informing me  on the VdW treatment of PWSCF,
and I'm glad to know that the implementation of VdW is now going on.

If possible, I want to test the Dion and Thonhauser's  treatment of VdW
interaction.
If we get CVS version of espresso, can I use it ?
I want to calculate the optimized distance between some molecules.


Sincerely,

Yukihiro Okuno.



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