Dear all,
I calculated the band structure of graphene using a TB model using the
Wannier90 package. Results are pretty good. But I am interested in calculating
the band structure using a semi empirical TB model where one can input the
number of nearest neighbours like 3 nearest neighbours, 6 nearest neighbours ,
3 next next nearest neighbours,.....for graphene. Is there a package to do that
in QE or does it need to be implemented. Would md (molecular dynamics) perform
that?
Regards
Elie Moujaes
University of Nottingham
NG7 2RD
Nottingham
UK
_________________________________________________________________
Do you have a story that started on Hotmail? Tell us now
http://clk.atdmt.com/UKM/go/195013117/direct/01/
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20100318/438a2cc9/attachment.htm
