Build an orthogonal box in ASE?

ASE
1

Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The question is how…happy to learn from you guys…

2

Hi gudutu19,

There’s the ase.build.supercells module in case it helps.

Best regards
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