[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
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
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