Author Topic: vacuum  (Read 3675 times)

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Offline 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 »

Offline Jess Wellendorff

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Re: vacuum
« 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).

Offline manishk19

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Re: vacuum
« Reply #2 on: February 19, 2018, 14:07 »
how is cell padding is used for vacuum

Offline Petr Khomyakov

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Re: vacuum
« 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.