[DFTB-Plus-User] sulphur at waveplot

[Bálint Aradi]

On 11/19/2012 04:43 AM, gxaaas wrote:
> Hi all,
>      When using the waveplot to calculate the orbital of molecule with
> sulphur，it always says "/var/spool/torque/mom_priv/jobs/ ....
> Bus error  "， but it works well for other molecule without sulphur(like
> just contains CHON). Does anybody have some experience on this problem？ 

 That sounds rather strange. Are you sure, this is really the "S" which
makes the difference?

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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