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
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20101124/1c39ea6e/attachment-0001.htm
-------------- next part --------------
A non-text attachment was scrubbed...
Name: GB60.bands.ps
Type: application/postscript
Size: 36709 bytes
Desc: not available
Url :
http://www.democritos.it/pipermail/pw_forum/attachments/20101124/1c39ea6e/attachment-0001.ps
