Author Topic: Nanotube with tube wrapper  (Read 30 times)

0 Members and 1 Guest are viewing this topic.

Offline berna

  • Heavy ATK user
  • ***
  • Posts: 55
  • Country: tr
  • Reputation: 0
    • View Profile
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?


Offline Petr Khomyakov

  • QuantumWise Staff
  • Supreme ATK Wizard
  • *****
  • Posts: 1194
  • Country: dk
  • Reputation: 19
    • View Profile
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.