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Author Topic: Align ABC axis with XYZ axis  (Read 4315 times)

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Offline James

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Align ABC axis with XYZ axis
« on: June 2, 2016, 22:39 »
Is there any easy way to align ABC axis of the supercell with XYZ? Thanks.
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Offline Anders Blom

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Re: Align ABC axis with XYZ axis
« Reply #1 on: June 3, 2016, 10:20 »
For which crystal system?
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Offline James

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Re: Align ABC axis with XYZ axis
« Reply #2 on: June 3, 2016, 16:52 »
Let's say WSe2, which could be pulled from the database. But actually it is a generally question, could we align ABC with xyz using some functionality provided by quantumwise? Thanks.
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Offline Anders Blom

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Re: Align ABC axis with XYZ axis
« Reply #3 on: June 5, 2016, 23:17 »
It's a bit hard to align a hexagonal cell with X AND Y... So the real question here is why you need it, really? Maybe you just need to cleave the cell or make a rectangular supercell, then it's easy enough to align the vectors?
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