[DFTB-Plus-User] Problem with dftb+ skf files

[Pasan Henadeera]

Dear Bálint,
Thank you for the guidance.

On Wed, 5 Jan 2022 at 13:43, Bálint Aradi <aradi at uni-bremen.de> wrote:

> Dear Pasan,
>
> please note, that the recipe examples expect the SK-files to be in a
> special location. Make sure to execute
>
> ./scripts/get_slakos
>
> before you start with the examples there. See
>
>
> https://dftbplus-recipes.readthedocs.io/en/latest/introduction.html#getting-slater-koster-data
>
> for further details.
>
> Best regards,
>
> Bálint
>
>
> On 05.01.22 07:00, Pasan Henadeera wrote:
> > Dear users and developers,
> >
> > I obtained the DFTB+ stable executable from the dftbplus.org
> > <http://dftbplus.org> website and extracted the archive on my computer.
> > When I execute the dftb+ program, as ./bin/dftb+, the program works and
> > asks for the *.hsd file as expected.
> >
> > However, when I downloaded the recipes archive from the Read the Docs
> > page and tried to run the example "recipes/basics/firstcalc/" I got an
> > error that the skf files were missing. I rechecked the location of the
> > skf files, but the program still returns the same error message.
> >
> > SK file '/***/basics/firstcalc/O-O.skf' does not exist'
> >
> > Please advise me on what I am doing incorrectly.
> >
> >
> >
> > Thank you
> > --
> > Best regards
> > PBH
> >
> > _______________________________________________
> > DFTB-Plus-User mailing list
> > DFTB-Plus-User at mailman.zfn.uni-bremen.de
> >
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
> >
>
>
> --
> Dr. Bálint Aradi
> Bremen Center for Computational Materials Science, University of Bremen
> http://www.bccms.uni-bremen.de/cms/people/b-aradi/
>
>
>
>
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>


-- 
Best regards
Pasan Henadeera
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