The exciton level where Q is not equal to zero

[shan dong]

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!

[Daniele Varsano]

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

[shan dong]

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~