[DFTB-Plus-User] information of basis functions and confinement potential

[Gao Bin]

Dear all,


I have a question regarding the DFTB parameters, or the Slater-Koster files, from which we will know for instance the matrix elements of overlap and Hamiltonian.


But how could we know the basis functions (the coefficient, angular number, exponent, see for example eq.(3) in J. Chem. Theory Comput. 2013, 9, 338) and the confinement potential (or the wave function compression radius if harmonic potential used, see eq. (4) in J. Chem. Theory Comput. 2013, 9, 338)? Do we have to read the original literature? Or is it possible to find such information in the parameter files? Thank you in advance.


Cheers

Gao
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