TDLDA + Scissor

Run-time issues concerning Yambo that are not covered in the above forums.

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joydev.de
Posts: 2
Joined: Sat Dec 27, 2014 2:43 pm

TDLDA + Scissor

Post by joydev.de » Mon Aug 07, 2023 8:07 pm

Dear Users,

I would like to do TDLDA + Scissor correction like "https://doi.org/10.1063/1.4891930" in figure 6.
What is the command line to generate the Yambo input file?

Thanks & Regards,
Joydev De,
P.hD student,
NISER, India

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Daniele Varsano
Posts: 3926
Joined: Tue Mar 17, 2009 2:23 pm
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Re: TDLDA + Scissor

Post by Daniele Varsano » Thu Aug 24, 2023 9:04 am

Dear Joydev,
you can solve TDLDA both in reciprocal or in transition space.

For reciprocal space you can generate the input with:

Code: Select all

yambo -o c -k alda -V qp
and insert the scissor correction in XfnQP_E

for transition space:

Code: Select all

yambo -o b -k alda -y d -V qp
and insert the scissor correction in KfnQP_E

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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