[DFTB-Plus-User] Format of .skf file

[嗨]

Hello everyone,




I am having some problems reading the C-C.skf file in matsci-0.3.0.




In the second line, it appears as follows:

0.0000 -0.1939 -0.4955 -0.0439 0.3647 0.3647 0.3647 0.00 2.00 2.00 T 1 0.341975 0.387425

"Format of the v1.0 Slater-Koster files" does not explain what "T 1 0.341975 0.387425" represents.




Between the "Spline" and "Documentation" sections, there are "Potential in Slaters", "Density in Slaters", and "Wave Function in Slaters". Will they be loaded by DFTB+? If so, what functional forms are used?




It seems that there are some new features in the .skf files. Where can I find the latest file format?




Thank you very much for your help.




Best regards,
Yuanfan Yang
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