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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Regular grids for Electron-Phonon calculations with yambo-py

Postby 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.

Bhavik Sanghavi
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Bhavik Sanghavi,
Department of Metallurgical Engineering and Material Sciences,
Indian Institute of Technology - Bombay.
Posts: 2
Joined: Tue Apr 24, 2018 8:02 am

Re: Regular grids for Electron-Phonon calculations with yamb

Postby 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.
Alejandro Molina-Sánchez
Physics and Materials Research Unit
Campus Limpertsberg
Université du Luxembourg
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Joined: Fri Jul 15, 2011 11:23 am
Location: Luxembourg

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