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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.

Pages in category "Symmetry"

The following 10 pages are in this category, out of 10 total.