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
Regular grids for Electron-Phonon calculations with yambo-py
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bhaviksanghavi
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Regular grids for Electron-Phonon calculations with yambo-py
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Regards,
Bhavik Sanghavi,
Department of Metallurgical Engineering and Material Sciences,
Indian Institute of Technology - Bombay.
Bhavik Sanghavi,
Department of Metallurgical Engineering and Material Sciences,
Indian Institute of Technology - Bombay.
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amolina
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- Location: Valencia, Spain
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Re: Regular grids for Electron-Phonon calculations with yamb
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.
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
Institute of Materials Science (ICMUV)
University of Valencia, Spain