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Author Topic: Why default k_A, k_B, k_C values vary for bulk and for device?  (Read 2873 times)

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Offline qweasel

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Why default k_A, k_B, k_C values vary for bulk and for device?
« on: February 14, 2017, 01:03 »
When a simple bulk structure is sent to the script generator, the default values for k-point sampling density are kA=kB=kC=2, while for a device the default values are kA=kB=2, kC=400. Why the difference?
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Offline Anders Blom

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Re: Why default k_A, k_B, k_C values vary for bulk and for device?
« Reply #1 on: February 14, 2017, 01:21 »
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