[DFTB-Plus-User] sulphur at waveplot

[gxaaas]

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？ 
Thanks!



gxaaas
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20121119/a5cbd8ec/attachment.htm>