[Pw_forum] band structure of a 60 atom grain boundary

[Elie Moujaes]

Dear all, 
 
I am trying to get the band structure of a 60-atom GB of graphene. The result is ok except that two of the bands should touch at some point and they are not touching. Could that be a probvlem in the convergence or in the set degauss value? Thanks
 
 
Regards
 
Elie Moujaes
University of Nottingham
NG7 2RD
 
 
  		 	   		  
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