[DFTB-Plus-User] (no subject)

Mathieu Dubois duboisma at minatec.inpg.fr
Wed Feb 27 09:53:11 CET 2008

Dear DFTB+ users,

As a regular user of DFTB+, I am currently working on calculating the Green's function of a graphene nano-ribbon. In order to limit the calcultion time, I try to calculate these Green's function by a recursive method. This means that I only need to calculate the Green's function for the periodic part of the ribbon (which I get with DFTB) and then, by a Dyson's equation, I can get the whole Green's function. The problem is that I need to know the tight binding hopping terms. I think I can get these from the SKF files, but I don't know how to read them. I would be very grateful if somebody could help with this issue. I thank you in advance.

Best regards,


Mathieu Dubois, PhD
3 Parvis Louis Néel
BP 257
F - 38016 Grenoble Cedex 1
Email : mathieu-j.dubois at minatec.inpg.fr
Tel : +33 (0)4-56-52-95-50
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