Questions about the electron-phonon coupling

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

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javad
Posts: 42
Joined: Fri Feb 28, 2014 10:23 pm

Questions about the electron-phonon coupling

Post by javad » Thu Dec 31, 2020 6:39 pm

Dear all

I followed the steps of the tutorial

http://www.yambo-code.org/wiki/index.ph ... n_Coupling

it works but I saw that in the input file there are different parameters not explained in the tutorial

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 PHfreqF= "none"                  # PWscf format file containing the phonon frequencies
 PHmodeF= "none"                  # PWscf format file containing the phonon modes
#GkkpExpand                      # Expand the gkkp in the whole BZ
#GkkpConvert                     # Convert the gkkp to new I/O format  
 
and

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 RandQpts=0                       # [RIM] Number of random q-points in the BZ 
what they are for?

best regards
Javad
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran

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claudio
Posts: 456
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
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Re: Questions about the electron-phonon coupling

Post by claudio » Fri Jan 01, 2021 9:45 am

Dear Javad

the

Code: Select all

GkkpExpand
is used for other calculations not present in the GPL, while '

Code: Select all

GkkpConvert
is used to checking purpose the IO for different versions
of the databases. You do not need any of them.

For the other input variables, people more expert than me we will reply to your post.


Regards
Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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