hello
I have a monoclinic conventional cell with atomic positions obtained from a structural database,
and I need to know the primitive cell for that lattice.
is there any code to do that
thank you in advance
conventional cell to primitive cell
Moderator: bguster
Re: conventional cell to primitive cell
Hi
I use phonopy. You create an input file with the conventional cell, and then it gets the primitive unit cell.
It works well.
I use phonopy. You create an input file with the conventional cell, and then it gets the primitive unit cell.
It works well.
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Boris Dorado
Atomic Energy Commission
France
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Boris Dorado
Atomic Energy Commission
France
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