Author Topic: High symmetry K-points in the Brillouin zone for the band structure  (Read 3359 times)

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Offline majeedqau

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Hi all,
As you know to calculate a band structure, we need high symmetry k-points (i.e Gamma,M etc) in the Brillouin zone.  So how one can get these high symmetry kpoints for a structure while using VNL.
Your help would be highly appreciated in this regard. I am using VNL only for structure designing purpose, not for calculations.
Thank You

Offline Petr Khomyakov

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For a given Bravais lattice type, the symmetry points are specified in the Band structure analysis object in the Scripter. You  cannot get those points through the Builder if this is what meant by saying "I am using VNL only for structure designing purpose, not for calculations".