What is exactly the error? because it is implemented (gamma_extrapolation is also working) and I just run the bulk silicon example and everything seems ok!
running PBE0 calculation for Si with nq=1,2,4 running the scf calculation for Si with nq = 1 ... done ! total energy = -15.90468197 Ry running the scf calculation for Si with nq = 2 ... done ! total energy = -15.84995846 Ry running the scf calculation for Si with nq = 4 ... best regards Layla 2012/9/3 Saeedeh S Ravandi <sxr109320 at utdallas.edu> > Dear Developers , > > > Quick Question; Is the EXX routine working in version 5.0.1 ? > I am trying to run EXX_examples , and it gives me error in finding HSE and > PBE0 for molecules? > x_gamma_extrapolation is this working for versions 5.0.1 or 4.3.2 ?? > > Thanks for your help > -- > Best Regards, > Saeedeh Ravandi > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120903/e108eef0/attachment.htm