Author Topic: supercell formation  (Read 1919 times)

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Offline sprinkle

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supercell formation
« on: March 10, 2017, 06:08 »
I am working with ternary glass system. when i want to create a supercell there is no option for transformation for a conventional supercell settings. ...?

Offline Anders Blom

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Re: supercell formation
« Reply #1 on: March 10, 2017, 08:56 »
That's probably because your existing cell already either is a conventional cell, or it uses UnitCell to represent the cell vectors, which effectively is a triclinic cell, even if the actual cell shape is different (say, face-centered cubic). You can convert the lattice representation in the Lattice Parameters tools under "Bulks tool" in the Builder, or you can always enter a transformation matrix manually.