AMSET print seekpath

AMSET
1

Hi,

Is there a way to print the paths/points generated by seekpath? When I run:

amset plot band --kpath seekpath vasprun.xml

I get the band structure plot and k labels but I want to know the direct of the path. E.g. G - L; I know G is (0,0,0) but what is L?

2

Currently that isn’t implemented but there are two easy solutions.

  1. Upload your POSCAR file to the Seekpath online tool.
  2. Use sumo to print the path. Note, as sumo is a dependency for amset it will already be installed. It is as simple as typing sumo-kgen --seekpath in a folder containing a POSCAR file.
3

Thanks