QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: berna on March 25, 2020, 07:39

Title: Nanotube with tube wrapper
Post by: berna 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?

Title: Re: Nanotube with tube wrapper
Post by: Petr Khomyakov on March 25, 2020, 13:20

None of these versions is supported any longer.

Yes, you should convert it to orthorombic.