[Pw_forum] An error occur when I use another set of pseudopotential

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Thu Feb 14 06:53:48 CET 2008


On Wed, Feb 13, 2008 at 10:02 PM, Lawrence
<lawrence_lee_lee at yahoo.com.hk> wrote:
> Dear all,
>
>  I can run a cp.x run smoothly when using one set of pseudopotential.
>  However, when I change to another set, an error as shown below occur.

dear lawrence,

please see the comments made to other error reports
you have to tell people more details of how to reproduce
the problem (input examples, pseudopotentials etc.)
or else (almost) nobody will be able to tell you anything helpful.

perhaps this is again a good time to post URLs to
a couple of webpages that describe how to handle error
reports for software in general:
http://freshmeat.net/articles/view/149/
http://www.catb.org/~esr/faqs/smart-questions.html

cheers,
  axel.

>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from simpson : error #         8
>      few mesh points
>   %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>  And then the run stopped. What are the possible causes for this problem?
>
>  Thanks very much for help!
>
>
>  --
>  S.H. Lee (shlee at phy.cuhk.edu.hk)
>  M. Phil
>  Physics Division
>  The Chinese University of Hong Kong Graduate School
>
>
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-- 
=======================================================================
Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
 Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.



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