Identifying C2N as a Molecular Crystal using VASP Calculations.

To share experience including discussions about scientific questions.


Moderators: Global Moderator, Moderator

Locked
Message
Author
hszhao.cn@gmail.com
Full Member
Full Member
Posts: 189
Joined: Tue Oct 13, 2020 11:32 pm

Identifying C2N as a Molecular Crystal using VASP Calculations.

#1 Post by hszhao.cn@gmail.com » Sat Mar 16, 2024 2:12 am

Hello everyone,

It is widely known that C2N is a molecular crystal, but I'd like to verify this through calculations using VASP. I'm reaching out to seek guidance on how to proceed with this verification process.

Thank you in advance for your help and suggestions!

Best regards,
Zhao

andreas.singraber
Global Moderator
Global Moderator
Posts: 236
Joined: Mon Apr 26, 2021 7:40 am

Re: Identifying C2N as a Molecular Crystal using VASP Calculations.

#2 Post by andreas.singraber » Wed Apr 03, 2024 8:37 am

Hello Zhao!

This is an interesting question but unfortunately I do not have any experience with this kind of material. I am sorry that I cannot help you with this issue but maybe some VASP user has some insight and may be willing to share.

Best,
Andreas Singraber

Locked