QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roc on August 27, 2018, 18:33

Title: band of new surface model (One-probe surface)
Post by: Roc on August 27, 2018, 18:33

Dear Sir,
I want to calculate the band of a new surface model (One-probe surface obtained by VNl 2017.2) which includes central scattering and a semi-infinite electrode.  However, there is no the band analysis choice.  How to solve it?

Thank you so much.

Title: Re: band of new surface model (One-probe surface)
Post by: Ulrik G. Vej-Hansen on August 28, 2018, 12:13

I guess PLDOS is the analysis you want to do, but you might want to look at our paper presenting the method, including applications: https://journals.aps.org/prb/abstract/10.1103/PhysRevB.96.195309

You can see the manual page for PLDOS for more specific information on how to use it.