DCACP potentials

akohlmey akoh... at gmail.com
Sat Apr 28 21:04:31 CEST 2007


hi all,

we (the CMM) are current investigating currently different ways to
improve
the representation of dispersion forces in DFT and as one option we're
trying the density adapted goedecker potential stuff that anatole has
done
while in lausanne.

i've translated the 'library' into CP2k format and uploaded the
resulting file
into this google group in the hope that somebody else might find it
useful
(or at least will save the effort of translating it while trying it
out).

cheers,
   axel.




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