[Pw_forum] problem in relaxation by using bfgs

[Javad hashemifar]

Please find as an attachment my job file. The obtained output file by
this job show that
one more step is required for reaching to etot_conv_thr while
forc_conv_thr is already satisfied.

Thanks for your attention.
Javad Hashemifar

On 12/22/06, Paolo Giannozzi <giannozz at nest.sns.it> wrote:
>
> On Dec 22, 2006, at 11:52 , Javad hashemifar wrote:
>
> > In fact I was using 2 processors for my job. But the interesting
> > point is that when about 2 hours ago I repeated calculation of
> > one case on 4 processors (with exactly the same input parameters
> > as before) the mentioned error message did not appear any more
> > and system relaxed completely and correctly.
>
> could you please provide your job? Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
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--
======================================
Seyed Javad  Hashemifar,    Ph.D.
[current:]
Tel:+49-203-3794743        Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
[permanent:]
Tel:  +98-311-3912375       Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
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-- 
======================================
Seyed Javad  Hashemifar,    Ph.D.
[current:]
Tel:+49-203-3794743        Fax:+49-203-3794742
Fachbereich Physik (AG Kratzer), Universitat Duisburg-Essen
47048 Dusiburg, Germany
[permanent:]
Tel:  +98-311-3912375       Fax: +98-311-3912376
Physics Department, Isfahan University of Technology
84156 Isfahan, Iran
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