Exciton phonon coupling

[Sam-2025]

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.

[Daniele Varsano]

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

[Sam-2025]

Dear Dr. Daniele Varsano,


For sure, Thank you so much.

With regards,
Samira.

[Sam-2025]

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.

[Daniele Varsano]

Dear Samira,

please read my answer here:
viewtopic.php?p=15259#p15259


Best,
Daniele

[Sam-2025]

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.

[Sam-2025]

Dear Professor Claudio Attaccalite

I apologize for revisiting this issue, but we continue to encounter the following error despite carefully following the exciton-phonon coupling tutorial in Yambo v5.2:
[[ERROR] STOP signal received while in[07.01.05.03] Main kernel loop

[ERROR] Writing File ./SAVE//ndb.BS_Q1_CPU_0; Variable L_kind; NetCDF: Attempt to convert between text & numbers]
Given the nature of the errors, we suspect a possible netCDF compatibility issue. Our HPC support team has tested two installations:
One using the internal netCDF library (v4.9.0)
Another with an external netCDF (v4.9.2)
However, the error persists in both cases. Notably, the issue does not occur in Yambo v5.3, though unfortunately, this version lacks exciton-phonon coupling functionality.
Could you kindly advise whether netCDF might indeed be the root cause, or if there are alternative solutions we might explore? Any guidance on resolving this would be greatly appreciated.
Thank you for your time and support.

[Daniele Varsano]

Dear Samira,

yes, it seems there is an incompatibility between serial and parallel input/output. I suggest you to wait for advices from Claudia Attaclie. Anyway, please note that you are trying to use a very experimental feature which is not yet officially released and thus not fully supported.

Best,

Daniele

[Sam-2025]

Dear Dr. Daniele Varsano,

Thank you so much.

[Sam-2025]

Dear Dr. Daniele Varsano,

When I am running the run command (yambo -F input.file name), what could be a reason that it is not start and only produce the" r_setup_05 file" ? Thank you so much for your guidance.
For exciton phonon coupling tutorial , I finished the BSE step correctly and solve that netcdf error, but for final step, I am encountering this problem. My input file is exactly as the tutorial one. I know you told before that are not familiar more about this tutorial, but I thought maybe something general is wrong. Thank you so much.