Dear EPW users,
This question is about the official version of EPW which will be released next week. Will there be an option for printing not just the imaginary electron self-energy but the imaginary electron self-energy for each phonon mode (acoustic & optical)? This will allow to compare the electron scattering rates arising from different acoustic and optical branches.
In addition, I hope to use this information to get the relaxation times and, along with the vme, calculate conductivity within Boltzmann Transport Equation at RTA level.
Thank you,
Vahid
Vahid Askarpour
Department of Physics and Atmospheric Science
Dalhousie University
Halifax, NS Canada
Imaginary electron self-energy for each phonon mode
Moderator: stiwari
Re: Imaginary electron self-energy for each phonon mode
Hi Vahid,
At this time the code does not support such an option. The reason is that a straightforward decomposition using the mode number at each q-point is not very meanigful. For example the acoustic modes near the zone center become optical modes at the zone boundaries. We will see if we can come up with some reasonable partinioning for the next release.
Note that basic calculations of conductivity in metals are already possible with the version that will be released at the end of this week (within Ziman's formula), and developments for BTE are ongoing.
FG
At this time the code does not support such an option. The reason is that a straightforward decomposition using the mode number at each q-point is not very meanigful. For example the acoustic modes near the zone center become optical modes at the zone boundaries. We will see if we can come up with some reasonable partinioning for the next release.
Note that basic calculations of conductivity in metals are already possible with the version that will be released at the end of this week (within Ziman's formula), and developments for BTE are ongoing.
FG