wparker at mps.ohio-state.edu
Fri Apr 2 20:38:10 CEST 2010
Thanks for the heads up, Davide. I just updated my CVS version. Do you
know what tests have been done on the HSE implementation?
On Fri, 2 Apr 2010, Davide Ceresoli wrote:
> William Parker wrote:
> > Anna, Carlo, other interested QE users,
> > QE does not have HSE (at least, as of version 4.1.2). Hybrid functionals
> > such as B3LYP and PBE0 that use exact exchange without screening are
> > implemented (activated, as Carlo mentioned, by putting -DEXX in the DFLAGS
> > of the make.sys file before compiling). Is anyone working on adding
> > screened exchange? It's on my list of things to do but not too near the
> > top.
> HSE has been implemented recently and it's in the CVS version.
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