[Pw_forum] smearing

[Eduardo Ariel Menendez Proupin]

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://lists.quantum-espresso.org/pipermail/users/attachments/20110315/aa5e3859/attachment.html>