Alexander, I guess You have used different versions of PWSCF. There have been recent changes in the use of tetrahedra
http://www.democritos.it/pipermail/pw_forum/2010-October/018478.html > ---------- Mensaje reenviado ---------- > From: "Alexander G. Kvashnin" <agkvashnin at gmail.com> > To: PWSCF Forum <pw_forum at pwscf.org> > Date: Tue, 15 Mar 2011 20:59:00 +0300 > Subject: Re: [Pw_forum] smearing > Dear all, > > When I used occupations='tetrahedra' in my scf calculation, everything was > OK. And in another scf calculation I had the same error. > I don't understand, why this error appear in one case and disappear in > another. > Can you explain me this situation, please? > Thanks. > > > -- Eduardo Menendez Departamento de Fisica Facultad de Ciencias Universidad de Chile Phone: (56)(2)9787439 URL: http://fisica.ciencias.uchile.cl/~emenendez -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110315/aa5e3859/attachment.htm
