[Wien] Wave function parity analysis

[Peter Blaha]

lapw7 (use "LAPW" only (no APW+lo)) may serve for "manual inspection" of symmetries.

irrep should give you the irreducible representation, which is a more "quantitative" argument
about a symmetry.

Am 18.08.2012 17:54, schrieb 李斌:
> Dear all,
>
> I have a quenstion about the wave function parity. In something like topological systems, how can I get the
> parities of states at time-reversal invariant momenta (TRIMs, such as Gamma point) for specific bands from the
> WIEN2K calculation? Does lapw7 work for this?
>
> Thank you!
>
> Li Bin
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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