[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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