Electron-phonon intro: plots of el-ph matrix elements on k-BZ and q-BZ

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sitangshu
Posts: 185
Joined: Thu Jan 05, 2017 8:08 am

Re: Electron-phonon intro: plots of el-ph matrix elements on k-BZ and q-BZ

Post by sitangshu » Mon Oct 28, 2024 4:47 pm

Dear Fulvio,

Many thanks for your reply and clearing many of our doubts. At this point, we can generate exciton-phonon matrix elements over the BZ similar to Fig. 3(lower panel) in the paper: https://journals.aps.org/prl/abstract/1 ... 125.107401
However, in the code excphondb.py, (after some more lines from our side) we can plot only average G_nm(Q,q). We can print all the G_nm(Q,q) and average G_nm(Q,q). We would also like to find out the exciton-phonon scattering rate (upper panel of Fig. 3). Can you let us know how we can proceed for reading the energies and matrix elements from the file?

Regards,
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

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palful
Posts: 80
Joined: Tue Jan 26, 2016 11:23 am
Location: Modena and Milan

Re: Electron-phonon intro: plots of el-ph matrix elements on k-BZ and q-BZ

Post by palful » Mon Nov 18, 2024 10:28 am

Dear Sitangshu,

We are currently restructuring and working on the release of the tools to calculate exciton-phonon matrix elements and related observables. At the moment no automatic procedure is available, but the exciton-phonon tools will be completed hopefully early next year.

Fulvio
Dr. Fulvio Paleari
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy

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