[Pw_forum] Error in routine Broyden
Elio Physics
elio-physics at live.com
Sat Oct 19 00:46:41 CEST 2013
Prof. Giannozzi,
Thanks for your reply.
Elio
> From: paolo.giannozzi at uniud.it
> To: pw_forum at pwscf.org
> Date: Thu, 17 Oct 2013 17:57:25 +0200
> Subject: Re: [Pw_forum] Error in routine Broyden
>
> On Wed, 2013-10-16 at 15:49 +0300, Elio Physics wrote:
>
> > Error in routine broyden (1):
> > factorization
>
> unfortunately this is a very tough error to solve.
> It usually points to really bad convergence problems,
> due to a weird system, or bad pseudopotentials
>
> P.
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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