[Pw_forum] relax

[Eyvaz Isaev]

Thanks, Stefano, actually I have mixed up the davcio error message with "pw.x stops with error in cdiaghg or rdiaghg".

Bests,
Eyvaz.

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


--- On Fri, 8/29/08, Paolo Giannozzi <giannozz at democritos.it> wrote:

> From: Paolo Giannozzi <giannozz at democritos.it>
> Subject: Re: [Pw_forum] relax
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Friday, August 29, 2008, 5:09 PM
> On Aug 29, 2008, at 13:18 , anna.ferrari at unito.it wrote:
> 
> >      from davcio : error #        12
> >      i/o error in davcio
> >
> > the error in the diagonalization is connected with 
> the negative  
> > charge?
> 
> there is no error in the diagonalization. The error is in
> I/O and  
> means that
> the code encountered an unexpected condition, in which it
> tried to read
> data from a nonexistent or empty or corrupted file, or to
> read data  
> in an
> incompatible format. It may happen especially if you are
> trying to  
> restart
> from a previous run.
> 
> > what can i do to avoid this error?
> 
> there shouldn't be any such error if you do things
> properly (and if  
> the disks
> of your machine work properly)
> 
> Paolo
> ---
> Paolo Giannozzi, Dept of Physics, University of Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
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