[DFTB-Plus-User] slater koster parameters (skf files)

Anshu Gaur agaur at iitk.ac.in
Sat Mar 30 13:12:06 CET 2019


Hello,

Can someone point me to some good resources on how to generate slater 
koster parameters (specifically in *.skf format used by dftb+)? I am 
specifically looking for pairwise skf files for In-O, In-N, In-In, Ga-O, 
Ga-N, Ga-Ga, Sn-O, Sn-N, Sn-Sn, Ga-In, In-Sn, Ga-Sn etc. My objective is 
structural optimization for multi-component oxides and nitrides using 
DFTB (due to large number of atoms).

Thanks and advance.

Anshu Gaur


-- 
Anshu Gaur
Assistant Professor
Department of Materials Science and Engineering
Indian Institute of Technology Kanpur



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