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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