These contain the key input files for Quantum Espresso / Phonopy calculations as described below. MSP_09 to MSP_13 used PBEsol RRKJUS pseudopotentials in file Pseudopotential.zip: MSP_09.zip: 3D structure, with Hubbard U, antiferromagnetic structure MSP_10.zip: 2D structure, with Hubbard U, antiferromagnetic structure MSP_12.zip: 3D structure, with Hubbard U, antiferromagnetic structure, with Grimme-D2 van der Waals correction MSP_13.zip: 3D structure, with no Hubbard U, antiferromagnetic structure, with Grimme-D2 van der Waals correction Using PZ RRKJUS pseudopotentials: MSP_209.zip: 2D structure, with Hubbard U, antiferromagnetic structure