Re: [Phonopy-users] how is symmetry matrix A determined in phonopy

[Atsushi T. <atz...@gm...>]

Hi,

Your question is too general to answer for me. I have no idea how to reply.

Togo

> How is the symmetry matrix A determined in F=-UAP. A is the
> site-symmetry matrix. I'm reading the
> original formulation of this method and several related papers.
> Palinski-Li-Kawazoe method seems to be very accurate.
> Has anyone ever
> made a comparison of different methods of calculating the phonon frequencies?
>
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-- 
Atsushi Togo
http://atztogo.users.sourceforge.net/
atz...@gm...