Accuracy of the HSE hybrid functional to describe many-electron interactions and charge localization in semiconductors

Data for: Accuracy of the HSE hybrid functional to describe many-electron interactions and charge localization in semiconductors. Folder: SiV_q-1_D3d. Input and output files and spin density for the negatively charged SiV in diamond in D3d symmetry (Quantum-Espresso). Folder: SiV_q-1_C2h. HSE and DMC spin densities of the negatively charged SiV in diamond in C2h symmetry (Gaussian .cube).