Printing complex electron-phonon matrix elements after interpolation

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RachelSE
Posts: 1
Joined: Sun Mar 05, 2023 8:40 am
Affiliation: Material sciences

Printing complex electron-phonon matrix elements after interpolation

Post by RachelSE »

Hi,
Is there a way to print the complex values of the electron-phonon coupling terms on the fine grid after interpolation in a bloch basis set (as I understand stored in ephmat). I understand that the prtgkk flag prints the absolute value of the g_kq after interpolation. Is there a flag or a way to print the complex g_kq?
Thank you,
Rachel

roxana
Posts: 172
Joined: Fri Jan 22, 2016 6:48 pm
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Re: Printing complex electron-phonon matrix elements after interpolation

Post by roxana »

Hi Rachel,

There is no flag to do this in the code. You can modify the subroutine where |g| is written to file.

Best,
Roxana
Roxana Margine
Associate Professor
Department of Physics, Applied Physics and Astronomy
Binghamton University, State University of New York

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