Yes! It is definitely possible and it is useful for calculating other things like electronic transport and first-principles values of Hubbard U (i.e. the ACBN0 method, which I have used a bit). Some good papers to read are from Prof. Marco Buongiorno Nardelli's group at UNT:
- L. A. Agapito, A. Ferretti, A. Calzolari, S. Curtarolo, and M. Buongiorno Nardelli, Physical Review B 88, 165127 (2013).
- L. A. Agapito, M. Fornari, D. Ceresoli, A. Ferretti, S. Curtarolo, and M. Buongiorno Nardelli, Physical Review B 93, 125137 (2016).
- L. A. Agapito, S. Ismail-Beigi, S. Curtarolo, M. Fornari, and M. Buongiorno Nardelli, Physical Review B 93, 035104 (2016).
- P. D’Amico, L. Agapito, A. Catellani, A. Ruini, S. Curtarolo, M. Fornari, M. Buongiorno Nardelli, and A. Calzolari, Physical Review B 94, 165166 (2016).
The basic idea is that you take the Kohn-Sham (K-S) orbitals and project them on the atomic orbitals you want to use in your tight-binding model. A convenient choice is the pseudo-atomic orbitals present in most pseudopotential files. Some difficulties can arise, especially in projecting empty conduction band states onto the atomic orbitals, since they are not as well-described by this basis. The method from these authors filters out K-S orbitals that have a low projectability on the localized basis. These get replaced in the Hamiltonian as zero eigenvalues. Another step is actually "shifting" these eigenvalues to a non-zero energy to avoid interfering with "real" bands in the energy range of interest.
I believe the code WanT (Wannier-Transport) can do this with Quantum Espresso, though it might not be an "official" feature. You can probably look through the source code to find the relevant methods. I think the code will output a "prefix.ham" file for the TB Hamiltonian.
More recent related codes to look at would be PAOFLOW and AFLOW$\pi$ from the AFlow consortium.