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
TDLDA + Scissor
Moderators: myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
- Daniele Varsano
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Re: TDLDA + Scissor
Dear Joydev,
you can solve TDLDA both in reciprocal or in transition space.
For reciprocal space you can generate the input with:and insert the scissor correction in XfnQP_E
for transition space:and insert the scissor correction in KfnQP_E
Best,
Daniele
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
for transition space:
Code: Select all
yambo -o b -k alda -y d -V qp
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/
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/