Phonon mode selection

General discussion around the EPW software

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chrisewolf
Posts: 37
Joined: Thu Jul 14, 2016 6:09 am
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Phonon mode selection

Post by chrisewolf »

Dear all,

I was wondering if it was possible in epw to select a phonon mode (branch index) when calculating the electron-phonon self energy (last equation here: http://epw.org.uk/Documentation/Electron-phononCoupling) in order to distinguish the individual contributions?

I looked through the docs but I am not sure if the "cumulative" method does this:

Code: Select all

Band index for which the cumulant calculation is done.
                   For more than one band, you need to perform multiple calculation and add the results together.


Thanks for your help as always!

Best,
Chris
carla.verdi
Posts: 155
Joined: Thu Jan 14, 2016 10:52 am
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Re: Phonon mode selection

Post by carla.verdi »

Dear Chris,

The cumulant expansion is a method for calculating the spectral function.
If you want to see the contribution of different phonon modes to the e-ph self-energy, you can set verbosity=3.
Beware that this will only follow the phonon mode index, rather than the actual nature of the phonon branch.

Best
Carla
chrisewolf
Posts: 37
Joined: Thu Jul 14, 2016 6:09 am
Affiliation:

Re: Phonon mode selection

Post by chrisewolf »

Mille grazie Carla, that is exactly what I want!

Best,
Chris
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