[DFTB-Plus-User] question about localDOS and transmission function in DFTB+

[I-Lin HO]

Dear Professor,

Excuse me.
Please allow me to ask a question for which I cannot access the answer
through the DFTB+ manual.

Regarding the energy scale in the NEGF calculation, that is, for
(1) The band structure of the lattice electrode or its Fermi level Ef,
(2) The local state density (DOS) of the electrode or device cluster,
(3) The transmission function for the device cluster,
Will DFTB+ change any of these energy scales?
For example, for convenience, change the definition of Ef to 0 eV.

In other words,
can you compare
(1) the energy band structure of the lattice electrode,
(2) the DOS of the semi-infinite electrode,
(3) the localDOS of the device cluster, and
(4) the tranmission function of the device cluster,
directly using the output data of DFTB+?

Or we should take care to shift any of them before comparing.

Many thanks
Best regards,
I-Lin Ho
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