Yambopy: Brilliouin zone borders for orthorhombic lattices

[Sahil_Hansa]

Dear Yambo team,

I'm using the exc_kspace_plot.py script (with some modifications in it) from Yambopy to analyze exciton weights for a 2D orthorhombic (rectangular) structure. The script runs successfully, but I get the following warning:

[WARNING] Lattice type %s currently not supported for drawing BZ borders

My question is:

Does the current version of Yambopy support drawing Brillouin zone borders for orthorhombic (rectangular) lattices or is this feature currently implemented only for certain lattice types (e.g., hexagonal)? If orthorhombic lattices are not yet supported, then is there any recommended workaround for plotting the correct Brillouin zone boundary together with the exciton weights?

Thank you, for any help.

[rreho]

Dear Sahil,
As far as I can see from the source code, the supported options are Hexagonal and orthorhombic. Yambopy should recognize that your cell is orthorhombic. If it doesn't something is off with the code or the way the geometry is passed to yambopy.
Is it possible that your cell is not standard? For example the lattice vector are in different indices position than the conventional case or it is not perfectly orhorhombic?
The best would be that you share your data and script for me to have a look.

RR