TDLDA + Scissor

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

Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan

Post Reply
Posts: 2
Joined: Sat Dec 27, 2014 2:43 pm

TDLDA + Scissor

Post by » Mon Aug 07, 2023 8:07 pm

Dear Users,

I would like to do TDLDA + Scissor correction like "" in figure 6.
What is the command line to generate the Yambo input file?

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

User avatar
Daniele Varsano
Posts: 3926
Joined: Tue Mar 17, 2009 2:23 pm

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

Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale

Post Reply