QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: asu on October 27, 2017, 12:16

Title: CrI3 bilayer structre
Post by: asu on October 27, 2017, 12:16

Respected quantumwise team

how to build Chromium iodide (CrI3) bilayer structre. we work on ATK 12.2.2 version.

Thanks

Asu

Title: Re: CrI3 bilayer structre
Post by: Ulrik G. Vej-Hansen on October 27, 2017, 13:26

Please upgrade to a newer version, 12.2.2 is not supported anymore.

Title: Re: CrI3 bilayer structre
Post by: asu on October 28, 2017, 07:19

Respected quantumwise team

how to build Chromium iodide (CrI3) bilayer structre of  upgrade  version. plese suggest to me.


Thanks
asu

Title: Re: CrI3 bilayer structre
Post by: Petr Khomyakov on October 28, 2017, 14:04

You may try searching the Databases in the VNL to import the structure, if available, or use the Crystal Builder, https://docs.quantumwise.com/tutorials/crystal_builder/crystal_builder.html. Another possibility is to google the structure to find it in some of the standard formats recognized by the VNL.