[QE-developers] bugs using "eigen_similarity" in matdyn.f90

[Lorenzo Paulatto]

No algorithm is perfect, if you manage to improve it do not forget to do a merge request. Otherwise, at least providing an example that fails would be appreciated.

kind regards
--
Lorenzo Paulatto - Paris
On May 12 2021, at 3:30 pm, None <west_lifer at 163.com> wrote:
> When I use the function "eigen_similarity=.true." in matdyn.in to order phonon dispersions using similarity of eigenvalues, some bugs appear.
> I found that there exist some errors owing to the sequence of the 3*nat phonon modes at Gamma points, and M-K path.
> Only the sequence of several points is error, but the values are correct.
> I draw the phonon spectrum in the pdf. Please check the annex.
>
>
> initial codes in matdyn.f90
> IF (eigen_similarity) THEN
> ! ... order phonon dispersions using similarity of eigenvalues
> ! ... Courtesy of Takeshi Nishimatsu, IMR, Tohoku University
>
>
> phd zhyuwww!
>
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