[Wien] Generation of K-Points in FBZ

[Peter Blaha]

Yes, from the points in case.klist the symmetry equivalent k-points can be generated
by applying the symmetry operations of your spacegroup. Most conveniently, they are
listed in case.struct.

ronunez at gauss.mat.uson.mx schrieb:
> Dear Prof. Blaha and Wien2k Users...
> 
> If I understand well, I can generate a set of k-points which fill the
> First Brillouin Zone (FBZ) using the k-points generates by kgen for
> the Irreducible Brillouin Zone (IBZ), multiplying them by the
> symmetry matrix written in case.outputkgen.
> 
> Is this correct?
> 
> Thank you for your attention..
> 
> Dr Roberto Nuñez Gonzalez
> Departamento de Matematicas
> Universidad de Sonora
> Mexico
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> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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