Yambo Community Forum

Dear Sir / Ma'am,


We ran the yambo-py tutorial for Si by following the instructions in the tutorial on Electron-Phonon interaction (http://yambopy.readthedocs.io/en/latest ... raction-si) without making any changes to the script files. We used the same Pseudopotential file that is provided with the tutorial.
When we compare the results of the El-Ph energy output file generated by yambo-py (o-qp-0k.qp) with the results given in the reference file in the older version of yambo (http://www.yambo-code.org/tutorials/Ele ... /index.php), we see that the results are off by an order of magnitude. For example, for K-point 1, bands 2 and 3, the E-Eo value in the yambo-py output file is 0.3304 while in the older reference file it is 0.03136.

I am attaching the output file of yambo-py and a screenshot of the reference values of the older tutorial.

Kindly help us in identifying what we could be doing wrong.

Dear Bhavik,

before comparing both calculations make sure that all the parameters are exactly the same. These are test calculations which use un-converged parameters. For instance, the q-point grid can be different. I recommend you to go through all the inputs files, checking all variables to make sure you are comparing the same thing.

Best,
Alejandro.