[DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O

[ACHYUT SUBEDI]

Hi Dr. Ben,

Thank you for the reply. I couldn't find the slater koster file for the Tb
in it. Also the maximum angular momenta to be included for each element
pair is missing in the skf files documentations. However, I can do some
test calculations with these files. Thank you so much. I really
appreciate your response!


On Thu, Jan 30, 2025 at 12:01 PM Benjamin Hourahine <
benjamin.hourahine at strath.ac.uk> wrote:

> Hello,
>
> Try:
>
> https://zenodo.org/records/10677796
>
> Regards,
>
> Ben
>
> Dr. B. Hourahine
> Senior Lecturer and Director of Student Support
> Department of Physics, SUPA
> University of Strathclyde, John Anderson Building,
> 107 Rottenrow, Glasgow G4 0NG, UK.
> +44 (0)1415483366, benjamin.hourahine at strath.ac.uk
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> ------------------------------
> *From:* DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de>
> on behalf of ACHYUT SUBEDI <er.subediachyut at gmail.com>
> *Sent:* 30 January 2025 16:17
> *To:* DFTB-Plus-User at mailman.zfn.uni-bremen.de <
> DFTB-Plus-User at mailman.zfn.uni-bremen.de>
> *Subject:* [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O
>
> CAUTION: This email originated outside the University. Check before
> clicking links or attachments.
> Hello everyone,
>
> I was trying to do some calculations using DFTB theory and DFTB+ code for
> a molecule made up of Bi-fe and O but in the official site of dftb, I
> couldn't find the Slater koster files for these element pairs.
>
> Do any of us have any idea on getting the Slater koster files for these
> element pairs?
> Is there any alternative way to get those slater koster files for our
> calculations?
>
>
> I look forward to hearing from the community!
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