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  • #521

Closed
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Opened Nov 16, 2020 by Matthias Redies@rediesDeveloper

Feature request: default path shouldn't be prime and the should be what the users asks

Using this inp-file: inp_LLZO results in a k-point path with 31 k-points even tough I ask for 32.

This is annoying, because 31 is prime and thus I can't use k-point parallelism. By default it generates 239, which is equally prime and equally annoying.

I think we should somehow generate path's that have the number of k-points the users wants, and by default aren't prime.

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Reference: fleur/fleur#521