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Re: Can exciton wavefunction plotted via ypp be periodic?

Posted: Tue Apr 29, 2025 4:58 pm
by Reza_Reza
Dear Daniele,

I placed the hole in a region where we have significant electronic density — specifically on the bridge — and not at a nodal point of the valence wavefunction.

To compute the exciton wavefunction, I repeated the calculation with the hole in the same position but slightly displaced along the z-axis (z = 0.01) to check the sensitivity.
The result is the same.

Best regards,
Reza

Re: Can exciton wavefunction plotted via ypp be periodic?

Posted: Tue Apr 29, 2025 5:43 pm
by Daniele Varsano
Dear Reza,

in the next few weeks, there will be the possibility to plot the real space excwf using yambo-py.
This will allow much faster calculations and will allow you to double-check your results.

We will let you know when this feature is available.

Best,

Daniele