Dear all,
I would like to repeat the calculation on the page : https://wiki.yambo-code.eu/wiki/index.p ... minescence
but it seems some links related to this topic is not available. I mean when I click on the :BSE basic, BSE convergence, BSE for 2D... the link doesn't show anything. Could you please check this issue? Thank you so much.
Exciton phonon coupling
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan, Nicola Spallanzani
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Exciton phonon coupling
Last edited by Sam-2025 on Thu Mar 20, 2025 8:20 pm, edited 1 time in total.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM
PhD Student
Mechanical Engineering Department / UVM
- Daniele Varsano
- Posts: 4205
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Exciton phonon coupling
Dear Sam,
please sign your post 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.
Many thanks for reporting.
The links have been now fixed.
Best,
Daniele
please sign your post 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.
Many thanks for reporting.
The links have been now fixed.
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/
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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- Posts: 13
- Joined: Mon Jan 06, 2025 1:23 pm
Re: Exciton phonon coupling
Dear Dr. Daniele Varsano,
For sure, Thank you so much.
With regards,
Samira.
For sure, Thank you so much.
With regards,
Samira.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM
PhD Student
Mechanical Engineering Department / UVM
-
- Posts: 13
- Joined: Mon Jan 06, 2025 1:23 pm
Re: Exciton phonon coupling
Dear all,
So sorry for repeating my question. For the following tutorials:
https://wiki.yambo-code.eu/wiki/index.p ... ote-cann-3
Should I start from directory : QPT12/dvscf/bn.save for the BSE calculation? and run the command ( yambo_ph -X s -o b -y d -V qp -k sex) which contain 3 step in BSE calculation and got above errors. Do you think I understood the tutorial correctly? Or for BSE section, I should create a new directory and get the SAVE file(contains wave functions) and run the command : yambo_ph -X s -o b -y d -V qp -k sex?
I think we should start from folder: QPT12/dvscf/bn.save which I believe in this folder we have the wavefunctions already.
The reason I am asking this question, because I came across some errors and not sure if this is related to installation or process.
Your guidance would be very helpful. Thank you so much in advance.
So sorry for repeating my question. For the following tutorials:
https://wiki.yambo-code.eu/wiki/index.p ... ote-cann-3
Should I start from directory : QPT12/dvscf/bn.save for the BSE calculation? and run the command ( yambo_ph -X s -o b -y d -V qp -k sex) which contain 3 step in BSE calculation and got above errors. Do you think I understood the tutorial correctly? Or for BSE section, I should create a new directory and get the SAVE file(contains wave functions) and run the command : yambo_ph -X s -o b -y d -V qp -k sex?
I think we should start from folder: QPT12/dvscf/bn.save which I believe in this folder we have the wavefunctions already.
The reason I am asking this question, because I came across some errors and not sure if this is related to installation or process.
Your guidance would be very helpful. Thank you so much in advance.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM
PhD Student
Mechanical Engineering Department / UVM
- Daniele Varsano
- Posts: 4205
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
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/
-
- Posts: 13
- Joined: Mon Jan 06, 2025 1:23 pm
Re: Exciton phonon coupling
Dear Dr. Daniele Varsano,
Thank you so much for your reply. In the attached link, I checked your suggestion for BSE but this question was related to exciton phonon coupling tutorial that I also have problem to rerun it. I would be appreciate if I get guidance about this one also.
Thank you so much for your reply. In the attached link, I checked your suggestion for BSE but this question was related to exciton phonon coupling tutorial that I also have problem to rerun it. I would be appreciate if I get guidance about this one also.
Samira Ghanbarzadeh (she/her)
PhD Student
Mechanical Engineering Department / UVM
PhD Student
Mechanical Engineering Department / UVM