This is a collection of input and output files which were used to produce the data reported in the following publication: Iurii Timrov, Nicola Marzari, and Matteo Cococcioni, "HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory", submitted to Comput. Phys. Commun. (2022); arXiv:2203.15684. Calculations were performed using the open-source Quantum ESPRESSO distribution v7.1. The distribution can be freely downloaded from www.quantum-espresso.org. The following codes of Quantum ESPRESSO were used: pw.x - the code that performs self-consistent-field ground-state calculations (to obtain total energy, forces, stress, and other properties) using Hubbard-corrected density-functional theory (DFT+U and DFT+U+V); hp.x - the code that computes the Hubbard U and V parameters using density-functional perturbation theory (DFPT). CONTENT OF FOLDERS: /LiMn0.5Fe0.5PO4, /Li0.5Mn0.5Fe0.5PO4, and /Mn0.5Fe0.5PO4 contain the subfolders: /DFT, /DFT+U, and /DFT+U+V Description of files (prefix can be either LMFPO or MFPO): - *.scf.1.in - input files for SCF calculations using pw.x (metallic) - *.scf.1.out - output files from SCF calculations using pw.x (metallic) - *.scf.2.in - input files for SCF calculations using pw.x (insulating) - *.scf.2.out - output files from SCF calculations using pw.x (insulating) - *.hp.in - input file for hp.x - *.hp.out - output file from hp.x - *.Hubbard_parameters.dat - output file from hp.x containing Hubbard U (and V) - HUBBARD.dat - output file with the Hubbard parameters /Bulk_Li (folder containing files for bulk Li) - Li.scf.in - input file for pw.x - Li.scf.out - output file of pw.x /Pseudopotentials (folder containing pseudopotentials) - li_pbesol_v1.4.uspp.F.UPF - pseudopotential for Li - mn_pbesol_v1.5.uspp.F.UPF - pseudopotential for Mn - Fe.pbesol-spn-kjpaw_psl.0.2.1.UPF - pseudopotential for Fe - O.pbesol-n-kjpaw_psl.0.1.UPF - pseudopotential for O - P.pbesol-n-rrkjus_psl.1.0.0.UPF - pseudopotential for P These pseudopotentials were chosen using the SSSP library 1.1 (efficiency). See the paper for more details about the pseudopotentials and their origin.