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http://people.epfl.ch/265334
From: users <users-boun...@lists.quantum-espresso.org> on behalf of Andrey Chibisov <andreichibi...@yandex.ru>
Sent: Sunday, July 19, 2020 8:50:38 AM
To: Quantum ESPRESSO users Forum
Subject: [QE-users] How to find suitable direction for t
alf of Andrey
Chibisov
Sent: Sunday, July 19, 2020 8:50:38 AM
To: Quantum ESPRESSO users Forum
Subject: [QE-users] How to find suitable direction for transferred momentum qi
in turbo_eels.x code
Dear colleagues,
I try to calculate EELS spectra for graphene/hBN (two single layer).
How to find suitable
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
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 Numeric
