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Re: Exciton phonon coupling
Posted: Fri May 09, 2025 8:23 am
by Daniele Varsano
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
Re: Exciton phonon coupling
Posted: Fri May 09, 2025 9:00 pm
by Sam-2025
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.
Re: Exciton phonon coupling
Posted: Mon May 12, 2025 2:27 pm
by claudio
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
Re: Exciton phonon coupling
Posted: Fri May 16, 2025 3:11 pm
by Sam-2025
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.
Re: Exciton phonon coupling
Posted: Wed May 21, 2025 8:15 am
by claudio
Dear Samira
you should stay in the QPT12 /dvscf/bn.save folder for all calculations
best
Claudio
Re: Exciton phonon coupling
Posted: Thu May 22, 2025 3:28 pm
by Sam-2025
Dear Professor,
Thank you so much for your guidance and time.