Charged slabs: restrict background charge to material region

Queries about input and output files, running specific calculations, etc.


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hat343
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Charged slabs: restrict background charge to material region

#1 Post by hat343 » Thu Feb 18, 2016 2:04 am

When performing charged slab calculations, is it possible to restrict the compensating background charge (jellium) into the materials region instead of it being spread homogeneously through the vacuum region?

If not, is there a way to correct the electrostatic potentials to make them flat in the vacuum region?

Many thanks...

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Re: Charged slabs: restrict background charge to material re

#2 Post by admin » Thu Feb 18, 2016 2:07 pm

Compensating background charge is spread homogeneously.
No tools for the manipulation of the location of charge are developed.

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