[DFTB-Plus-User] A question regarding the wfc file format

[Ljiljana Stojanovic]

Dear DFTB+ developers,

I was wondering if I could ask a question regarding the actual AO functions
used in the DFTB+. I was trying to use the STO coefficients and exponents
from the wfc.3ob-3-1.hsd file. It is not very clear to me what is the
actual functional form of an AO?  For example, in the case of the hydrogen
atom, 9 values of coefficients and 3 values of exponents are printed. How
are they combined? It seems that 3 different values of the coefficients are
combined with the same exponent. I was trying to find an actual form of an
orbital, but I didn't manage to find the answer. I need this information to
be able to print and visualise the NTOs.
Any help would be much appreciated.
Thanks a lot in advance.

Best wishes,
Ljiljana Stojanovic
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