[DFTB-Plus-User] Using xTB Hamiltonian

[CHAUDHURI, SHAY (PGR)]

Hi,

I heard that DFTB+ now allows the xTB Hamiltonian to be used in calculators, but there doesn't seem to be much documentation about how this can be done? Could anyone direct me/provide some advice about I can run some xTB calculations please?

Many thanks,


Shay Chaudhuri


PhD Student

Department of Chemistry

University of Warwick

Coventry, CV4 7AL, UK
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