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
Exciton phonon coupling
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani
- Daniele Varsano
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Re: Exciton phonon coupling
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/
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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- Joined: Mon Jan 06, 2025 1:23 pm
Re: Exciton phonon coupling
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.
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
PhD Student
Mechanical Engineering Department / UVM
- claudio
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- Location: Marseille
- Contact:
Re: Exciton phonon coupling
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
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
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
-
- Posts: 27
- Joined: Mon Jan 06, 2025 1:23 pm
Re: Exciton phonon coupling
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.
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
PhD Student
Mechanical Engineering Department / UVM
- claudio
- Posts: 531
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
- Contact:
Re: Exciton phonon coupling
Dear Samira
you should stay in the QPT12 /dvscf/bn.save folder for all calculations
best
Claudio
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
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
-
- Posts: 27
- Joined: Mon Jan 06, 2025 1:23 pm
Re: Exciton phonon coupling
Dear Professor,
Thank you so much for your guidance and time.
Thank you so much for your guidance and time.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM
PhD Student
Mechanical Engineering Department / UVM