Author Topic: BeO unit cell  (Read 121 times)

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Offline Ema

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BeO unit cell
« 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

Offline NW

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Re: BeO unit cell
« Reply #1 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.