How to plot the absolute of the e-ph coupling matrix element

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jin.zhang
Posts: 10
Joined: Thu Feb 23, 2017 1:44 am
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How to plot the absolute of the e-ph coupling matrix element

Post by jin.zhang »

Dear EPW developers:
I want to visualize the absolute value of the e-ph matrix element (as like Fig4 in Nano Lett. 2014,14,1113-1119).
Could you please tell me in which file the information is (epmatwp or others?) and the corresponding code structure to output the file.

It is better if there is any example.
Best,
Jin

sponce
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Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: How to plot the absolute of the e-ph coupling matrix ele

Post by sponce »

Dear Jin,

At the moment there is no input variable to output this. You have to place write statements directly in the code.

The variable is epmatf in the ephwann_shuffle.f90 routine.

You will need to average the matrix elements on degenerate eigenvalues and degenerate phonon modes.

Best,

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com

jin.zhang
Posts: 10
Joined: Thu Feb 23, 2017 1:44 am
Affiliation:

Re: How to plot the absolute of the e-ph coupling matrix ele

Post by jin.zhang »

Dear Samuel,
Many thanks for your nice reply.
Jin

jin.zhang
Posts: 10
Joined: Thu Feb 23, 2017 1:44 am
Affiliation:

Re: How to plot the absolute of the e-ph coupling matrix ele

Post by jin.zhang »

Dear EPWers?
I still have some difficulty in visualizing the square e-ph matrix elements in the revision of ephwann_shuffle.f90 file.

Did anyone have the successfully realized code to output this information and could you post it (or email me)? I am eager to analyze some results.
Thank you for the help in advance.

Jin

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