[Pw_forum] PAW for vdw-DF2

Paolo Giannozzi giannozz at democritos.it
Mon Sep 3 13:42:33 CEST 2012

On Mon, 2012-09-03 at 10:16 +0800, florence liu wrote:

> I thought that it might be reasonable to use a PAW which is generated
> for a functional based on RW86, is that right? I would try the setting
> dft='NOX-PW-PW96-(anything else?)'

note that the definition of the vdW-DF2 functional will change in the
next release: SLA-PW-RW86, i.e. th eSlater term is no longer
contained into the rPW86 functional (the latter contains only 
the gradient corrections)

Paolo Giannozzi, IOM-Democritos and University of Udine, Italy

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