[Wien] how to set a particular sequence of k-path

fatima DFT fatimadft5 at gmail.com
Fri Oct 16 17:57:39 CEST 2020


Dear Sir
How I can choose k-path like below
Γ—X|Y—Γ—Z|R—Γ—T|U—Γ—V

I mean the vertical lines.

I got all the points in BZ but I am wondering how these vertical lines are
defined.

Thank you very much

Fatima
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20201016/83312539/attachment.htm>


More information about the Wien mailing list