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I would like to use the result of a DFTB+ calculation as an SCF initial guess calculation in PySCF.

Is there a way to generate the density matrix of the converged calculation and read it with PySCF to perform a subsequent HF or DFT calculation?

Thank you in advance

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Not that I am aware of. Hégély and Kállay studied the accuracy of tight-binding initial guesses in Int. J. Quantum Chem. 122, e26782 (2021) and found that the tight-binding guess has a similar level of accuracy to SAD.

Even though such an interface is not available, note that the extended Hückel ('huckel') guess in PySCF is basically a tight-binding guess; see J. Chem. Theory Comput. 15, 1593 (2019) for the theory.

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