[DFTB-Plus-User] sulphur at waveplot

gxaaas gxaaas at gmail.com
Mon Nov 19 04:43:39 CET 2012


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
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