Category:Symmetry

VASP determines the symmetry of the structure by analyzing the ionic position and velocities given in the POSCAR file and the MAGMOM tag in the INCAR file. Additionally, the ISYM tag determines the symmetry operations applied to quantities such as the electronic charge density, Kohn-Sham orbitals, etc, during the calculation. We introduce symmetry in VASP in a lecture on our YouTube channel.