[QE-users] V2C showing V-V bonds

[Ms.Shruthi A S]

Hello All,

I am currently working on a 2D V₂C monolayer and successfully replicated the band structure reported in the literature. However, when visualizing the structure in Xcrysden, it shows an unexpected V-V bond. To address this, I modified the chemical connectivity factor in the "Modify" option, reducing it from 1.005 to 1.002, which caused the bond to disappear. Is this the correct approach, or am I making an error?

Thanks and Regards
Shruthi A S
Research Scholar,
Nanoelectronics Research Laboratory
Department of Electronics,
Amrita Vishwa Vidyapeetham
Amrita School of Engineering-Bangalore
India
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250314/7bd13f5f/attachment.html>