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Topic: vacuum (Read 3686 times)
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manishk19
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vacuum
«
on:
February 18, 2018, 19:10 »
Sir,
please tell me how to introduce vaccum to avoid artificial inter-ribbon interactions in nanoribbon.
«
Last Edit: February 18, 2018, 19:13 by manishk19
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Jess Wellendorff
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Re: vacuum
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Reply #1 on:
February 19, 2018, 00:05 »
In the Builder, use the Lattice Parameters tool to increase the length of the appropriate lattice vector (most likely C).
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manishk19
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Re: vacuum
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Reply #2 on:
February 19, 2018, 14:07 »
how is cell padding is used for vacuum
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Petr Khomyakov
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Re: vacuum
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Reply #3 on:
February 19, 2018, 16:03 »
When increasing the lattice parameter (keeping atomic coordinates in Cartesian), you add the vacuum to the system. I suppose that what you call "cell padding" is the vacuum.
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