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Questions about the electron-phonon coupling

Posted: Thu Dec 31, 2020 6:39 pm
by javad
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

Re: Questions about the electron-phonon coupling

Posted: Fri Jan 01, 2021 9:45 am
by claudio
Dear Javad

the

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

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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