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Author Topic: Wigner-Seitz  (Read 3567 times)

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Offline Dipankar Saha

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Wigner-Seitz
« on: July 12, 2017, 12:37 »

Hello,

Hope the the "Wigner-Seitz scheme" will also be handy for conducting the calculations related to Phonon Transport!!

Best_
Dipankar
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Offline Petr Khomyakov

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Re: Wigner-Seitz
« Reply #1 on: July 12, 2017, 18:14 »
The scheme is not directly related to phonon transport calculations. It is based on an approximation that allows for computationally-efficient calculation of dynamical matrix (phonon band structure) for bulk materials. 
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Offline wuxing

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Re: Wigner-Seitz
« Reply #2 on: July 24, 2017, 09:49 »
Hello,
Can you tell me the calculation process of phonon calculation using Wigner-Seitz approximation？
I checked the "Enable Wigner-Seitz scheme", but only got the phonon frequency at Gamma point. I don't know why.
Thank you very much!
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Offline Ulrik G. Vej-Hansen

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Re: Wigner-Seitz
« Reply #3 on: July 24, 2017, 10:31 »
Please consult the manual page for Dynamical Matrix - you will find specific mention of the Wigner-Seitz scheme at the bottom: http://docs.quantumwise.com/manuals/Types/DynamicalMatrix/DynamicalMatrix.html
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