[Wannier] Plotting Wannierfunctions over Several Unit Cells

[Aleksander Bach Lorentzen]

Hello,

I am using wannier90 to determine wannier-functions for monolayer MoS2. For my particular problem, I need the spatial dependence of these wannier-functions.

The first wannierfunction can be seen in the attached .png file to the left and a cut of the x-y-plane with the middle z-value is seen to the right.
When plotting the wannierfunctions over several unit cells, a problem arises: the wannierfunctions seems to be discontinuous when crossing the boundaries of the various unit cells. This is more evident from the plot on the right hand side of the .png file. I am unsure what to do about this and if it is an error in wannier90 or on my hand.


Best regards,

Aleksander Bach Lorentzen, Aalborg University, Denmark
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