Yambo Community Forum

Dear developers,

I have plotted the exciton wave functions (WFs) in real space using 'ypp -e w'. Is there any way to get the excitonic WFs in reciprocal space? Does the WFs equal with the exciton weights mapped in a 2D BZ?

Best
Jason

Dear Jason,
yes, you need to look the exciton weights integrated over bands.
They are reported in o.exc* file, the commented part (ypp -e a). There, they are in the IBZ so you need to expand them in the whole BZ, and probably you need also to lower
the weight threshold (Weight_treshold) which is by default 5% of the max value.
Here below a link to plot them using yambopy:
https://www.yambo-code.eu/wiki/index.ph ... ocal_space

Best,

Daniele