The exciton level where Q is not equal to zero

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shan dong
Posts: 48
Joined: Thu Oct 17, 2019 5:26 am

The exciton level where Q is not equal to zero

Post by shan dong » Wed Jul 20, 2022 11:07 am

Dear all,
I have calculated excitons at finite momentum q by set "%BSEQptR 1| 3 | # [BSK] Transferred momenta range % " . How do I get the exciton levels for q=2 and q=3 after BSE calculation ? Could anybody give me some suggestions? Thank you very much!
yifei liu
PhD student
Beijing Institute of Technology,China

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Daniele Varsano
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Re: The exciton level where Q is not equal to zero

Post by Daniele Varsano » Wed Jul 20, 2022 11:48 am

Dear Shan Dong,
if I well understand your question you want to look at BSE eigenvalues after diagonalization of finite-q BSE matrix.
In this case you need to use the ypp executables:

Code: Select all

ypp -e s -b #iq
so
ypp -e s -b 2 and ypp -e s -b 3
will do what you need.

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/

shan dong
Posts: 48
Joined: Thu Oct 17, 2019 5:26 am

Re: The exciton level where Q is not equal to zero

Post by shan dong » Wed Jul 20, 2022 12:20 pm

Daniele Varsano wrote: Wed Jul 20, 2022 11:48 am Dear Shan Dong,
if I well understand your question you want to look at BSE eigenvalues after diagonalization of finite-q BSE matrix.
In this case you need to use the ypp executables:

Code: Select all

ypp -e s -b #iq
so
ypp -e s -b 2 and ypp -e s -b 3
will do what you need.

Best,

Daniele

Dear Daniele,
That's exactly what I want. Thank you very much~
yifei liu
PhD student
Beijing Institute of Technology,China

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