[Wien] sgroup case.struct error (degenerated basis)

L. D. Marks L-marks at northwestern.edu
Tue Feb 14 00:55:51 CET 2006


I am trying to setup a calculation in space group 187 P-6m2 and I'm 
getting the above error from line 79 of sgroup.c (gcc -O compilation). Any 
suggestions.

Note: if you have an old email address for me, please note that "nwu" has
been changed to "northwestern".
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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