Regular grids for Electron-Phonon calculations with yambo-py

Run-time issues concerning Yambo that are not covered in the above forums.

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bhaviksanghavi
Posts: 2
Joined: Tue Apr 24, 2018 8:02 am

Regular grids for Electron-Phonon calculations with yambo-py

Post by bhaviksanghavi » Sat Jun 02, 2018 9:45 am

Dear Sir/ Ma'am,

We wanted to use regular grid to calculate electron-phonon corrections in Silicon. We followed the suggestions posted on one of the yambo forum threads (viewtopic.php?f=15&t=1349). We tried with a 4x4x4 k and q point grid and with seach_sym = .true and also .false as recommended in the thread.

However, our results are not meaningful. We have attached the input and output files.

Kindly let us know how to proceed further.


Regards,
Bhavik Sanghavi
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Regards,
Bhavik Sanghavi,
Department of Metallurgical Engineering and Material Sciences,
Indian Institute of Technology - Bombay.

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amolina
Posts: 128
Joined: Fri Jul 15, 2011 11:23 am
Location: Valencia, Spain
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Re: Regular grids for Electron-Phonon calculations with yamb

Post by amolina » Wed Jun 06, 2018 7:33 am

Dear Bhavik,
I would say that you should use the default search_sym (.true.). Why do you say your results are not meaningful? I see a large el-ph correction of the QP eigenvalues, but this can be the result of unconverged q-grid.
Cheers,
Alejandro.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain

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