[Pw_forum] heavier elements with empirical dispersion don't work [SOLVED]
Martin Andersson
ma at nano.ku.dk
Fri Dec 16 14:00:09 CET 2011
Hi all,
I managed to find the small thing I missed and now it works. I attach
the modified version of mm_dispersion.f90 if anyone wants to use it. Of
course I say nothing about the accuracy of the DFT-D method for the
heavy elements...
Cheers,
Martin Andersson
University of Copenhagen
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