[DFTB-Plus-User] Bandgap of GNR

[u3129004 at edu.gifu-u.ac.jp]

Dear DFTB+ user,

I calculated Density of states of graphene nanoribbon (please refer to 
an attached file). But I am doubtful of this result. Because the bandgap 
is a lot different from other calculation results which are calculated 
by Tight Binding method and first principal calculation. I attached my 
input file for this calculation.

It would be very helpful if you could provide me any advice.

Thank you in advance,
Kazuma
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Kazuma KIHIRA
Environmental & Renewable Energy Systems Division
Graduate School of Engineering, Gifu University
E-mail:u3129004 at edu.gifu-u.ac.jp
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