Exciton phonon coupling

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Daniele Varsano
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Re: Exciton phonon coupling

Post by Daniele Varsano » Fri May 09, 2025 8:23 am

Dear Samira,

can you please provide more info?
What calculations are you trying to do and what's the content of input.file.

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/

Sam-2025
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Re: Exciton phonon coupling

Post by Sam-2025 » Fri May 09, 2025 9:00 pm

Thank you so much.

https://wiki.yambo-code.eu/wiki/index.p ... -cudazzo-7
I am checking this tutorial and I passed the 2 first step but in the third step, after getting the input file (yambo_ph -excph o) as attached in the tutorial , and running it, it is only create setup file and running nothing.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM

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claudio
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Re: Exciton phonon coupling

Post by claudio » Mon May 12, 2025 2:27 pm

Dear Samira Ghanbarzadeh

did you download the correct version of Yambo? this tutorial is not supported in the ufficial yambo,
if you want to run it please use the code you find here:

[https://wiki.yambo-code.eu/wiki/index.p ... g_the_code]

and then to generate the input you need a SAVE folder with electron-phonon databases

best
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

Sam-2025
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Re: Exciton phonon coupling

Post by Sam-2025 » Fri May 16, 2025 3:11 pm

Dear Professor, Yes we download yambo as described in the attached link. I am wondering maybe , I am doing the process in wrong way.
Could you please let me know for BSE step, which I need scf and nscf result, should I put them in different directory and then run the second step ? or I should stay in QPT12 / bn.save directory from pervious step? I tried both of them and even though it is producing the correct adsorption spectrum in second step, at the end it crashed. and for final step, it didn't produce any result.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM

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claudio
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Re: Exciton phonon coupling

Post by claudio » Wed May 21, 2025 8:15 am

Dear Samira

you should stay in the QPT12 /dvscf/bn.save folder for all calculations
best
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

Sam-2025
Posts: 27
Joined: Mon Jan 06, 2025 1:23 pm

Re: Exciton phonon coupling

Post by Sam-2025 » Thu May 22, 2025 3:28 pm

Dear Professor,

Thank you so much for your guidance and time.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM

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