[DFTB-Plus-User] slater koster files

[Roozbeh Anvari]

Dear community

I have a question about interpreting .SKF files,

H_ppπ  for C-C interaction at an interatomic distance of 1.42 angstrom
should be ~ 3eV, (for example see Porezag, D., Frauenheim, T., Köhler, T.,
Seifert, G., & Kaschner, R. (1995). Construction of tight-binding-like
potentials on the basis of density-functional theory: Application to carbon.
Physical Review B, 51(19), 12947. )

while by interpolating to parameterized  H0 in mio and pbc sets I get a
value of -2.03 eV,

Thank you in advance
Roozbeh
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