Jupyter notebook and data for analysis of BSE Hamiltonian size

Here, we share the dataset for the analysis of exciton coefficients. Our method provides the necessary number of valence and conduction bands to build the BSE Hamiltonian for a supercell calculation based on the results of a primitive cell calculation. The method is described in the following paper: How to choose efficiently the size of the Bethe-Salpeter Equation Hamiltonian for accurate exciton calculations on supercells. R. R. Del Grande, D. A. Strubbe, Phys. Rev. B 112, 165118 (2025) https://doi.org/10.1103/dg13-y4kj If you use the code provided here, please cite the above paper and this zenodo repository (https://doi.org/10.5281/zenodo.15778718)