[QE-users] How to find suitable direction for transferred momentum qi in turbo_eels.x code

[Oleksandr Motornyi]

Dear Andrey

q in turbo EELS code is given in cartesian coordinates in 2pi/alat 
units. For you case it means that you should always use q_z = 0 and q_x, 
q_y  you chose depending on what direction you want to explore. For 
instance for Gamma-M in ibrav=4 (hexagonal lattice) you vary q along q_y 
keeping both q_x and q_z = 0.

HTH

Oleksandr

On 19/07/2020 08:50, Andrey Chibisov wrote:
> Dear colleagues,
> I try to calculate EELS spectra for graphene/hBN (two single layer).
> How to find suitable direction for transferred momentum qi in 
> turbo_eels.x code for this system?
> I need to find acoustic plasmons modes
> -- 
> Best regards,
> Dr. Andrey Chibisov, Ph.D.
> Senior Researcher,
> Laboratory of Numerical Methods in Mathematical Physics,
> Computing Center of the Russian Academy of Sciences.
> Khabarovsk, Russia
> Web page: https://www.researchgate.net/profile/A_Chibisov
> https://www.linkedin.com/in/andrey-chibisov-98625355/
>
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-- 
Oleksandr Motornyi
PhD, Data Scientist

France

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