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TDLDA + Scissor

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

Re: TDLDA + Scissor

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