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 position).
Paolo On Sun, Feb 4, 2018 at 1:04 PM, Christoph Wolf <wolf.christoph@qns.science> wrote: > 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! > > Best, > Chris > > -- > Postdoctoral Researcher > Center for Quantum Nanoscience, Institute for Basic Science > Ewha Womans University, Seoul, South Korea > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- 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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