On Tue, Jan 15, 2019 at 11:41 Kun-Han Lin <[email protected]> wrote:

> Hello everyone,
>
> Does anyone know how to compute the site energy based on Thole model using
> 2D slab geometry?
> I think it's implemented in VOTCA based on this article:
> https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00599
>
> But I don't know which option I should specify in the input. Thanks in
> advance for the reply!
>
This is a ctp question, please ask that on votca-ctp google group!

Christoph

>
> Kun-Han
>
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-- 
Christoph Junghans
Web: http://www.compphys.de

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