[Wien] A possible bug in symmetso
Hongjun Xiang
xhongjun at mail.ustc.edu.cn
Tue Oct 24 19:31:54 CEST 2006
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
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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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