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Author Topic: Nanotube with tube wrapper  (Read 5013 times)

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Offline berna

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Nanotube with tube wrapper
« on: March 25, 2020, 07:39 »
Hi.

https://forum.quantumatk.com/index.php?topic=1535.0
This topic claims that tube wrapper extension of ATK 2012 has errors. Did you fix it? I am using 2017.1 version.  Does 2017.1 version of tube wrappers have errors? When I build a nanotube from simple monoclinic, should I transform it orthorombic supercell?

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Offline Petr Khomyakov

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Re: Nanotube with tube wrapper
« Reply #1 on: March 25, 2020, 13:20 »
None of these versions is supported any longer.

Yes, you should convert it to orthorombic.
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