Page 1 of 1

New Automatic QE-->Yambo Codes version 1.0

Posted: Fri Sep 02, 2022 8:21 am
by sitangshu
Dear all yamboers,

I have made the git repository for doing automatic QE+yambo jobs. These are automatic set of shell scripts with minimum complexities that does all the exciton-phonon driven optical absorption computations at one shot in a high performance cluster.
This may also be useful in forthcoming MAX sessions Yambo tutorials.
Location: https://github.com/SitangshuIIITA/Autom ... pts-in-HPC

Learn carefully :)

Regards,
Sitangshu

Re: New Automatic QE-->Yambo Codes version 1.0

Posted: Fri Sep 02, 2022 8:38 am
by Daniele Varsano
Dear Sitangshu,

that's really appreciated, we will surely have a look and eventually, we will check how to integrate with the Yambo-Aiida plugin, which is meant for automatic yambo workflows (https://github.com/yambo-code/yambo-aiida).

Many thanks for sharing,

Best,

Daniele

Re: New Automatic QE-->Yambo Codes version 1.0

Posted: Fri Sep 02, 2022 9:01 am
by sitangshu
I am glad with your response, Daniele.

Thanks & Regards

Re: New Automatic QE-->Yambo Codes version 1.0

Posted: Thu Sep 08, 2022 7:49 am
by sitangshu
Hello Yamboers!

There has been a few update in the automatic scripts which includes GW regression data generation, python plotting and a subsequent automatic BSE scissor computation.
Here: https://github.com/SitangshuIIITA/Autom ... pts-in-HPC

Regards