"exc_amplitude" file created by "ypp -e a"

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"exc_amplitude" file created by "ypp -e a"

Postby xueshanxihua » Mon Jun 25, 2018 8:30 am

Dear users and developers :

When using "ypp -e a" commend, it creates a file "o-'jobname'.exc_amplitude_at_n" which contains a spectrum-like data, and it's described as "Electron-Hole pairs that contributes to Excitonic State 1 more than 5%". In my opinion´╝îit can be understand as a re-weighted jdos by taking into account the contribution magnitude of each e-h transition for exciton state 1.

1) Is my understanding right?
2) Does this quantity has a "formal name" in condensed matter physics?

Thank you
Zeyu Jiang
PhD Student
Department of Physics, Tsinghua University
Beijing, 100084
Posts: 11
Joined: Tue Dec 06, 2016 9:43 am

Re: "exc_amplitude" file created by "ypp -e a"

Postby Daniele Varsano » Mon Jun 25, 2018 9:02 am

Dear Zeyu,
1) Yes, it's correct. Note that I the energy at the denominator (w-Ec-Ec) I think they are the KS energies and not the QP energies.
2) It is a JDOS as you said, I do not know if there is another formal name.

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