[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

=============================================================
 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/
=============================================================



More information about the Wien mailing list