[DFTB-Plus-User] DFTB+ parameters for additional atoms

[Arun Sharma]

Hello,

I wonder if there are additional atomic parameters and interactions sets
for atoms not currently present in the DFTB parameter sets on the website.
For example, I am interested in simulating systems that contain
tetrafluoroborate anion, FB-(F)F. However, I have not across B-F
interaction sets. Is anybody aware of a parametrization procedure to add
new atomic interaction pairs to DFTB, or if any proprietary software
already includes parameters beyond those provided at the link.

Thank you,
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