Therefore lower values of m * are associated with higher carrier mobility. This strategy avoids the computation of the bulk modulus and the Bardeen-Shockley deformation potential for the band edges, which would be necessary for computing charge-carrier mobility requiring excessive computational resources for screening the entire database. In the parabolic approximation, the effective mass tensor can be reduced to a scalar quantity and can be computed directly from the band structure, taking into account the curvature of the VB (for m * of holes) and CB (for m * of electrons). PBE vs PBE0 A challenge with extended structures such as metal-organic frameworks (MOFs) and COFs is that their unit cell contains many atoms, which makes simulations at high fidelity computationally prohibitive. One way to approach the cost vs accuracy issue, as previously reported for MOFs, is to employ a scheme to evaluate the DFT descriptors at a GGA-level (e.g., PBE ), but making use of a post-processing empirical adjustment to reproduce hybrid functional (e.g., PBE0) results. The hypothesis that such an adjustment exists is based on the systematic employment of 25% of Hartree-Fock (HF) exact exchange in PBE0. Moreover, the nature of the orbitals contributing to the band gap in COFs is mostly unchanged between PBE and PBE0. Unlike MOFs, most COFs do not contain transition and post-transition metals. Their organic element composition reduces the presence of the charge transfer mechanism in MOFs like ligand-to-metal and metal-to-ligand charge transfer, which would require higher levels of theory than hybrid functionals.