[Pw_forum] changing vdW radii for dispersion correction

[Michael Sullivan]

Martin:

Have a look at the mm_dispersion.f90 file in the Modules folder. It's pretty obvious what to change. This is also the place you'd change the C6 if needed.

Mike
michael at ihpc.a-star.edu.sg
http://www.sullivan.sg/

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On Behalf Of Martin Andersson
Sent: Friday, November 26, 2010 3:10 PM
To: pw_forum at pwscf.org
Subject: [Pw_forum] changing vdW radii for dispersion correction

Hi!

I would like to use the DFT-D implemented in QE, but I would like to
change the vdW radii used. How can I do this?

Cheers,
Martin Andersson,
NanoGeoScience,
University of Copenhagen
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