QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Ema on July 24, 2019, 09:55

Title: BeO unit cell
Post by: Ema on July 24, 2019, 09:55
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
Title: Re: BeO unit cell
Post by: NW on July 24, 2019, 13:01
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.