Re: [Phonopy-users] Whether the eigenvector in the band.yaml is equal to the eα?

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

Hi,

Eigenvectors are computed using numpy eigh (
https://numpy.org/doc/stable/reference/generated/numpy.linalg.eigh.html).
Dynamical matrix is defined by
https://phonopy.github.io/phonopy/formulation.html#dynamical-matrix .
See also https://phonopy.github.io/phonopy/output-files.html#general

Togo

On Thu, Sep 5, 2024 at 6:07 PM jiangb--- via Phonopy-users <
pho...@li...> wrote:

> Dear Prof. Atsushi Togo <https://samurai.nims.go.jp/profiles/togo_atsushi>
> ,
>
>
>
> I am writing this email to ask for your help
> <https://samurai.nims.go.jp/profiles/togo_atsushi>.
>
>
>
> I use the phonopy to calculate the phonon and its eigenvector. However, I
> don't know whether the eigenvector in the band.yaml is equal to the eα (eβ)
> denoted in the Dynamical matrix part.  Some tutorials treat the eα as the
> product of the eigenvector in the band.yaml and the 1/M1/2.  Which one is
> right?
>
>
>
> And the axis of the eigenvector in the band.yaml confused me as well. The
> eigenvector in the band.yaml is along the xyz axis or along the a,b,c axis?
>
>
> Jiang
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-- 
Atsushi Togo