QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roc2019 on August 11, 2019, 14:41

Title: Spectral function
Post by: Roc2019 on August 11, 2019, 14:41

Dear Sir,
Recently, I read your paper [Nano Lett. 2017, 179, 5626-5633 ]. Can you give some details about how to obtain the  Spectral function，such as Fig. 3(b) and  Fig. 5(a).   I use the VNL 2019.3. 

Thank you so much!

Title: Re: Spectral function
Post by: Daniele Stradi on August 12, 2019, 09:05

Hello,

You can create plots such as that in Fig. 3b by using the SurfaceBandstructure object: https://docs.quantumatk.com/manual/Types/SurfaceBandstructure/SurfaceBandstructure.html

To create plots such as  Fig. 5a, you can use the ProjectedLocalDensityOfStates object: https://docs.quantumatk.com/manual/Types/ProjectedLocalDensityOfStates/ProjectedLocalDensityOfStates.html

Best regards,
Daniele

Title: Re: Spectral function
Post by: Roc2019 on August 13, 2019, 02:42

Dear Dr. Stradi ,

Thank you so much.
I can get the Fig. 3(a) by calculating the surface band.   Can you give more details about how to get the Fig. 3(b), Fig. 3(c), and Fig. 3(d), which seems different from Fig. 3(a).

Thanks again.