[QE-users] An enquiry about momentum transfer in TDDFPT

Elio Physics Elio-Physics at live.com
Sun May 8 00:49:39 CEST 2022


Dear all,

I have a question regarding the momentum transfer q in a TDDFPT calculation.
Let us say I want to calculate how the plasmon peak frequency changes along the Gamma-K path in a hexagonal lattice.
How do we set the (q1,q2,q3) variables in the turbo_eels.x input to point to that specific path in the Brillouin zone?
I was thinking that we can set them equal to the coordinates of the k-points along the Gamma -K path;  this would be then equivalent to a momentum transfer between the Gamma point and a specific point along the G-K path. Does this make sense?

Thanks in advance

Elie A Moujaess
Adjunct professor
Federal university of Rondonia
Porto Velho
Brazil
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