electron phonon coupling supercell

Deals with issues related to computation of optical spectra, in RPA (-o c) or by solving the Bethe-Salpeter equation (-o b). Includes local field effects, excitons, etc.

Moderators: Davide Sangalli, andrea marini, Daniele Varsano, andrea.ferretti, myrta gruning, Conor Hogan

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saaxx2
Posts: 2
Joined: Mon May 06, 2019 2:51 am

electron phonon coupling supercell

Post by saaxx2 » Mon May 06, 2019 8:54 am

Dear Yambo users
my name is Salah Alsmairat, I am PhD student, trying to calculate electron phonon coupling constant for Al super cell, 2*2*2 , 32 atoms.
I am doing that using DFT codes, quantum espresso for example but it is time consuming. can I use Yambo without the need for qe, or abinit , or any other code. Is it faster?
I just downloaded yambo and I have no idea about it, could you please help me with that.
And could you please give me the steps in details to follow.

Thanks

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Daniele Varsano
Posts: 2720
Joined: Tue Mar 17, 2009 2:23 pm
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Re: electron phonon coupling supercell

Post by Daniele Varsano » Mon May 06, 2019 9:01 am

Dear Saaxx2,

please sing your posts with your name and affiliation, this is a rule of the forum and you can do once for all by filling the signature in your user profile.
can I use Yambo without the need for qe, or abinit , or any other code
Yambo is a many body code that needs a ground state as a starting point, so you need to calculate it using qe or abinit and next use the proper interface which come with the yambo suite.
I have no idea about it, could you please help me with that.
In the yambo webpage you can find step by step tutorials on how to use yambo:
http://www.yambo-code.org/wiki/index.ph ... =Tutorials
http://www.yambo-code.org/tutorials/index.php
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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