[Wien] A possible bug in symmetso

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Oct 25 08:16:02 CEST 2006


Thank's for the mail. It will be cleaned up in the next release.

> D: 72234
> 
> Dear all,
>    I found a tiny bug in SRC_symmetso/dirdeh.f,
> the definition of the subroutine should be
> 
> subroutine dirdeh(zvec,s,ich,label)
> 
> instead of
> 
> subroutine dirdeh(zvec,s,ich,label,miss).
> 
> Otherwise for some systems segment fault will occur when using initso.
> 
> I am using the latest version of wien2k (06.4).
> 
> Best regards,
> Hongjun Xiang
> 
> =============================================================
>  H. J. Xiang
>  Postdoctoral Research Assistant
>  Department of Chemistry
>  North Carolina State University
>  Raleigh, NC 27695-8204
>  Tel: 001-919-515-8919 
>  http://www4.ncsu.edu/~hxiang/
> =============================================================
> 
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> Wien at zeus.theochem.tuwien.ac.at
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                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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