[DFTB-Plus-User] Incompatible SK grid lengths for species pair 1, 5

[Akanksha Ashok Sangolkar]

Respected Sir,
Greetings!
Thank you Sir for your kind suggestions. I found that there is no bug
regarding the length in pai 1 and 5. Actually there is some installation
problem in that pc. DFTB+ is compiled without an error but still none of my
systems are working properly there. i tried on another pc Its working fine
there


Thanking you

Regards

Akanksha Sangolkar

JRF

NIT Warangal India

On Fri, Nov 20, 2020 at 6:32 PM Bálint Aradi <aradi at uni-bremen.de> wrote:

> Dear Akanksha,
>
> > ERROR!
> >
> > -> Incompatible SK grid lengths for species pair 1, 5
>
> That means, the SK-table species1-spesiec5.skf has a different length as
> the SK-table species5-species1.skf. There could be two reasons for this:
>
> * The SK-files you use have a bug. If you use the official ones from
> dftb.org, let me know, I'd then fix it. (Although as far I can see, all
> sets containing F are consistent).
>
> * Maybe you have mistype the SK-file name when specifying them. It is
> recommended to use the automatic SK-file name generator, to avoid
> mistyping errors:
>
>   SlaterKosterFiles = Type2FileNames {
>       Prefix = <The directory with the SK-files>/
>       Suffix = .skf
>       Separator = "-"
>    }
>
> Best regards,
>
> Bálint
>
>
> --
> 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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