Thanks for the heads up, Davide. I just updated my CVS version. Do you know what tests have been done on the HSE implementation?
--William 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. > > D. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
