On Thu, Jan 20, 2022 at 5:55 AM Marcelo Falcão de Oliveira via users <[email protected]> wrote: > > Dear QE users, > > I could not find a script or online tool for automatic generation of explicit > q points along BZ paths, necessary as an input for matdyn.x (PHonon). So, I > decided to write a script based on the Seek-path python module > (https://pypi.org/project/seekpath/). > Perhaps someone can find it useful, below follows the link for downloading. > Or probably someone knows a better way to do that, in such a case, please, > let me know. > > https://drive.google.com/file/d/1D1wWzAUx47ym6QZP_bttMA5ZWSzXnaF_/view?usp=sharing > > Best regards and nice calculations to everyone,
The k points and q points are the same thing, just with different names. So for all this kind of work, using seekpath is sufficient. See here [1] for details. [1] https://github.com/giovannipizzi/seekpath/issues/83 HZ _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
