[Wien] ROTDEF error in Optical calculations

[yanming Ma]

Dear Users,

When I try to do the Optical calculation, everything
goes very smoothly, until I run x joint. There was an
"ROTDEFF error"occurring. I checked the inside of
error file. The informations are 
'ROTDEF'-No symmetry operation found
'ROTDEF'-for jatom, index 2 8
'ROTDEF'-atomposition of jatom 0.000 0.7500 0.8929
'ROTDEF'-atomposition of index 0.6657 0.75  0.0565

Then I check the structure file. I did not find
anything wrong in the structure file. So What is the
problem for this error.

Thanks for your reply.

=====
Yanming Ma Ph.D
Steacie Institute for Molecular Sciences,
National Research Councils of Canada,
Ottawa, Ontario
K1A 0R6
Canada


	
		
__________________________________
Do you Yahoo!?
Win a $20,000 Career Makeover at Yahoo! HotJobs  
http://hotjobs.sweepstakes.yahoo.com/careermakeover