I'm using Quantum ESPRESSO to determine the electronic properties of systems. Now I want to confirm if hybridization takes place between orbitals. I have generated density of states and projected density of states files. But I'm not sure how to know if hybridized orbitals exist or not.
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I do not know if you will see this answer, but as far as I understand, QE does not have a sense of orbitals (because it works in the plane wave basis). However, you should be able to do a tight-binding calculation using QE and wannier90 (I know that there exists a version of QE that you can compile to work with wannier90) and pw2wannier90 is the specific executable that you'd need to do the first part of the calculation. You can then project your results from QE using a TB procedure to obtain the hybridized orbitals.
The documentation for Wannier90 is the best place to start.
