[DFTB-Plus-User] Regarding Fermi energy
u3129004 at edu.gifu-u.ac.jp
u3129004 at edu.gifu-u.ac.jp
Tue Jan 19 17:05:50 CET 2016
Dear DFTB+ users,
I calculated graphene nanoribbon using DFTB+NEGF (please refer to an
attached file). I checkd the position of Fermi energy by typing like
following:
grep "Fermi energy" ./detailed.out
However it was found that Fermi energy = 0.0 eV.
I think this value is not true because in this case of graphene, this
material should be semiconductor.
Please tell me how to know right Fermi energy.
In addition, this is the first time I use DFTB+NEGF. So it is possible
that I made mistakes in my input files. It would be very helpful if you
could give 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
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