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

[toufik essakhri]

Hello,
I would recommend to use the extended tight binding (xTB) Hamiltonian
Regards,
Toufik
________________________________
De : DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> de la part de ACHYUT SUBEDI <er.subediachyut at gmail.com>
Envoyé : jeudi 30 janvier 2025 17:17
À : DFTB-Plus-User at mailman.zfn.uni-bremen.de <DFTB-Plus-User at mailman.zfn.uni-bremen.de>
Objet : [DFTB-Plus-User] Slater Koster Files for Bi-Fe-O and Tb-Sc-O

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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