For graphene I would try first the sawtooth potential (option "tefield"):
it is simple and does the job (as long as you place it in the proper
On Sun, Feb 4, 2018 at 1:04 PM, Christoph Wolf <email@example.com>
> Dear all,
> I was wondering which approach would be better suited to describe an
> efield applied across a 2D system with surface normal in z direction.
> Judging from the docs both can be used to apply a field but I am curious if
> one has an advantage over the other. I further found the "gatefield"
> example in qe 6.2 and I am curious if that would be favorable over above.
> The "goal" is to see if the band-structure/absorption spectrum modulation
> by an external electric field can be modeled with pwscf.
> Thanks in advance for you insights!
> Postdoctoral Researcher
> Center for Quantum Nanoscience, Institute for Basic Science
> Ewha Womans University, Seoul, South Korea
> Pw_forum mailing list
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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