Actually, the two were independent statements. For hybrids i found no information regarding implementation in phonon program.
I was wondering the same for PAW as well. For PAW i now have the reference. Thank you Gabriele! What is the "CVS" version? Nandan. On Mon, Oct 17, 2011 at 12:22 PM, Gabriele Sclauzero <gabriele.sclauzero at epfl.ch> wrote: > > Il giorno 17/ott/2011, alle ore 17.43, Nandan Tandon ha scritto: > > Hello, > > I was wondering whether phonon calculations can be done with hybrid > functionals? > > I think i read somewhere that PAW cannot be used for phonon > calculations. > > What's the connection between the two? (hybrids <--> PAW) > > But from > the what i understand from comments in the phonon.f90, it appears that PAW > can > actually be used. > > I think that phonon with PAW has been implemented and should be available at > least in the CVS version, if not in the latest distribution. > Here you can find the theory > http://prb.aps.org/abstract/PRB/v81/i7/e075123 > Phonon with hybrids has not been implemented or is just on the way. Let's > wait for a reply by Paolo or Stefano dG. > GS > > Any comments would be appreciated. Thanks in advance, > > Nandan. > -- > *********************************************************************************************** > Nandan Tandon > Department of Physics, > Worcester Polytechnic Institute, > 100 Institute Road, > Worcester, MA > ************************************************************************************************* > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > ? Gabriele Sclauzero,?EPFL SB ITP CSEA > ?? PH H2 462, Station 3,?CH-1015 Lausanne > > > > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- *********************************************************************************************** Nandan Tandon Department of Physics, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA *************************************************************************************************
