[DFTB-Plus-User] (no subject)

[Max Ramirez G.]

Dear Veerpal Kaur,

On 11/06/2014 02:11 AM, veerpal kaur dhiman wrote:
> Dear Sir,
>  
> I need slater koster files for As-Se, Se-Se , Se-As , which i am
> unable to find on dftb.org <http://dftb.org>.
> Please let me know that from where i can get these slater koster files ?

If you want this parametrizations you can do it yourself. You can check
this page


https://trac.cc.jyu.fi/projects/hotbit/wiki/Parametrization

and check this really good publication

P. Koskinen and V. Mäkinen
/Density-functional tight-binding for beginners/
Computational Materials Science *47*, 237 (2009)

>
> Thanking You,
> Veerpal Kaur,
> Panjab University,
> Chandigarh.
>
>
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-- 
Saludos,
Max Ramirez G.
<max.ramirez at gmail.com>

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