Where can we find the list of Wigner-Seitz grid points

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dongws
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Where can we find the list of Wigner-Seitz grid points

Post by dongws »

Hi EPW staff,

Where can we find the information regarding the list of Wigner-Seitz grid points (irvec)?

Thanks!
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sponce
Site Admin
Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Where can we find the list of Wigner-Seitz grid points

Post by sponce »

Hello,

You get it from the routine "wigner_seitz2".

Best,

Samuel.
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
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