Structure files - ferroelastic domain walls in CaMnO3

Structure files for the relaxed primitive cell and ferroelastic domain walls (mirror and 90° rotation symmetric) in CaMnO3, in POSCAR format. All structures are relaxed with the PBEsol functional in VASP. Supercells with G-AFM ordering represent the ground state structure, while all other cells have a specific collinear magnetic wall (MW) ordering imposed on the structural domain wall, like FM-type, C-type etc. The 6x1x1 90°-wall supercell was used for non-collinear calculations.