On Wed, Dec 14, 2011 at 12:34 PM, Azadi, Sam <azadi at uni-mainz.de> wrote: > Dear QE users, > > As it's written in README file of EXX_examples directory, corresponding > formula of stress calculation > using hybrid functionals have not yet been coded in quantum espresso. > But by choosing "tstress = .true." in scf input file, there is a value for > stress in scf output file. > My question is, is it reliable ?
how can it be, if the exact exchange contribution is missing? axel. > > Yours > S.A > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- Dr. Axel Kohlmeyer akohlmey at gmail.com ?http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
