[Pw_forum] HSE

Davide Ceresoli ceresoli at MIT.EDU
Fri Apr 2 20:14:24 CEST 2010

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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