[QE-users] Script to produce explicit q points along BZ paths for input in matdyn.x

Hongyi Zhao hongyi.zhao at gmail.com
Thu Jan 20 12:37:02 CET 2022


On Thu, Jan 20, 2022 at 12:47 PM Marcelo Falcão de Oliveira
<marcelo.falcao at usp.br> wrote:
>
> Dear Hongyi Zhao,
>
>    I understand that and have also checked the Seek-path online tool at materials cloud website. However I could not figure out a way to get many q (or k) points along the paths. The matdyn.x needs many points along the path as an input, let's say 400. That's why I have made such a script using the seek-path module.
>
> Thank you for your prompt response, best regards,

You're welcome. Based on your script, I created a new GitHub
repository [1] that I hope will facilitate the collaborative
development of the script and make it more accessible and usable by
others.

[1] https://github.com/hongyi-zhao/makeBZpath

Regards,
HZ


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