[Pw_forum] vdw-df2

[DONG Rui]

Hi, all

I have something not clear about the vdw-df implementation.

It is mentioned in the example that we'd better use revised pbe when using
the vdw-df, but "revPBE" itself is another xc-functional? What do we do now?

Do we write the input_dft="revPBE+vdW-DF2"?

or we do "revPBE" first and use the result to restart a "vdW-DF2"
calculation?

Thank you very much for help!

-- 
Sincerely,

Rui DONG
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110727/128f1ab8/attachment.html>