[Wannier] How to Confirm the Consistency of Crystal Symmetry Between pw.x and wannier.x Calculations?

郝德博 haodb at bgi-graphene.com
Mon Feb 17 03:52:36 CET 2025


Dear All,
I am currently working on verifying the consistency of crystal symmetry between pw.x and wannier.x. The example provided in q-e-qe-7.2/W90/examples/example21/atom_centered_As_sp has been replicated for this purpose. While crystal symmetry operations were successfully obtained from the pw.x calculations, no explicit information about crystal symmetry or symmetry operations could be found in the output of wannier.x.
Could you kindly advise on where to find the crystal symmetry information after wannier.x calculation? Thank you in advance for your time and assistance!
Best regards,
Debo Hao
Beijing Graphene Institute, China
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