[DFTB-Plus-User] Mulliken symbols from DFTB+

Brendan Smith bsmith24 at buffalo.edu
Wed Feb 26 21:57:25 CET 2020


Hello DFTB+ community,

Does anyone happen to know if DFTB+ can provide users with the mulliken
symbols for the molecular orbitals?

If not, could this be an easy thing to do?

Thank you for your time,
Best,
Brendan Smith
PhD Candidate, State University of New York at Buffalo
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