Where is em1s computed in yambo

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Where is em1s computed in yambo

Postby liuyuaustin » Fri Jun 22, 2018 9:52 pm

Dear Yambo devs,

I'm trying to figure out where \epsilon_{GG'}^{-1}(q,\omega) is computed in yambo,
as in equation (6) of the yambo paper.

I think the information in
viewtopic.php?f=10&t=132
is slightly outdated, but so far I see that, for example,
invoking yambo with the -b option to compute the static inverse dielectric matrix results in a call
to X_dielectric matrix in src/pol_function/X_dielectric_matrix.F

I am not sure what happens when the code does
call section(sec_mode,'Static Dielectric Matrix')
though.

Thanks,
Austin Liu
Austin Liu
Graduate Student, Applied Physics
Bernardi Group, California Institute of Technology
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Re: Where is em1s computed in yambo

Postby Daniele Varsano » Tue Jul 17, 2018 11:51 am

Dear Austin,
sorry for the delay, for some unknown reason I have not been notified by your posts.
Actually, the subroutine calculating the response function X (Eq.7) is X_redux.F.
Next, what is stored in ndb.em1s is vX. The delta function is then added when needed, depending on the run level.

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/
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