BeO unit cell

[Ema]

Hello all,
I'm trying to build BeO unit cell, But I couldn't find any tutorial.
I need to calculate and analyze band structure.
Please let me know how I can build and relax BeO unit cell?

Thank you,
Ema

[NW]

Hi,

You can use Databases Tool and select Be and O atoms to find different available structures. Then you can import it and do your simulations.