Include spin orbit coupling only in Green's function and not in Screening

[batman]

Dear Developers,

Is there a way where I can compute the screening (both dynamic and static) without spin orbit interaction and use them in G0W0(also BSE too) with spin orbit coupling included only in green's function?

Thank you,

Best regards,
Murali

[Daniele Varsano]

Dear Murali,

probably it is possible (you will need to trick the code that will complain in using a database coming from a different SAVE directory).
Anway if SOC is important it will affect the band structure of the system so neglecting it in the screening, it will provide rather inaccurate result.
Next, I cannot exclude that there could be problems due to the fact that the two calculations of the ground state are done with different pseudopotentials.

Best,
Daniele

[claudio]

Dear Murali

this possibility is present in Yambo 5.1 that will be released within one week more or less

best
Claudio

[batman]

Dear Daniele and Claudio,

Thanks for the reply. I was just curious if this is possible as I read in a paper that the effect of SOC on screening is small for some systems. (https://journals.aps.org/prb/abstract/1 ... .84.085144). Anyways, I will try it out when the new release is out

Best regards,
Murali

[claudio]

Dear Murali

the new version of the code is available here:

https://github.com/yambo-code/yambo/wik ... gz-format)

best
Claudio