[DFTB-Plus-User] Potential profile along unitcell

[David A. Cornil]

Dear DFTB+ users,



I have a question about the way to extract an electrostatic potential
profile along z-axis for a periodical interface system.

Is there a post-processing tools to do that from the charge density
distribution ?

I see in the manual that there is a Poisson solver for transport
calculation. Can that be used to get the potential profile ?



Thanks in advance,



David



============================



David *"Pocket"* CORNIL, PhD

Assistant de recherches



Laboratory for Chemistry of Novel Materials (CMN)

University of Mons (UMONS)

20 Place du Parc

7000 MONS (BELGIUM)



Mendeleiev Building - 104

*phone* : +32 (0)65 37 38 69

*e-mail :* David.Cornil at umons.ac.be
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