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:[email protected]] 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 _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum IHPC Values :: Impact :: Honesty :: Performance :: Co-operation This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you.
