Slater-Koster Table for CH about hotbit

[pekkosk]

KS-tables are so that CH-table means <C-orbitals|operator|H-orbitals> and HC-table means <H-orbitals|operator|C-orbital>. For example, H_sp-sigma-tables then are not symmetric, because H has no p-orbitals. H_ss, H_pp, and H_dd tables, on the other hand, should be symmetric.

[Anshuman5]

Thanks for clarification. So to match mio-1-1 sk file: C-H.skf and H-C.skf (which are identical file), do we need to copy H-C.skf to C-H.skf ?
I am baffled when I compare the C-H.skf with H-C.skf in the mio library. Why are they exactly the same?

[pekkosk]

That's a good question; I don't know. Perhaps you should take a look at the exact description of .skf file format.