[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
---------------------------------------------------
Kazuma KIHIRA
Environmental & Renewable Energy Systems Division
Graduate School of Engineering, Gifu University
E-mail:u3129004 at edu.gifu-u.ac.jp
---------------------------------------------------
-------------- next part --------------
A non-text attachment was scrubbed...
Name: bandgap.png
Type: image/png
Size: 103262 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20160113/7d78b387/attachment-0001.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: dftb_pin.hsd
Type: application/octet-stream
Size: 2709 bytes
Desc: not available
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20160113/7d78b387/attachment-0001.obj>