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
Can exciton wavefunction plotted via ypp be periodic?
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Re: Can exciton wavefunction plotted via ypp be periodic?
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Reza - Postdoc
CNRS
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- Daniele Varsano
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Re: Can exciton wavefunction plotted via ypp be periodic?
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
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
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/