Category:Symmetry: Difference between revisions
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VASP determines the '''symmetry''' of the structure by analyzing the ionic position and velocities given in the {{FILE|POSCAR}} file and the {{TAG|MAGMOM}} tag in the {{FILE|INCAR}} file. Additionally, the {{TAG|ISYM}} tag determines the symmetry operations applied to quantities such as the electronic charge density, Kohn-Sham orbitals, etc, during the calculation. | VASP determines the '''symmetry''' of the structure by analyzing the ionic position and velocities given in the {{FILE|POSCAR}} file and the {{TAG|MAGMOM}} tag in the {{FILE|INCAR}} file. Additionally, the {{TAG|ISYM}} tag determines the symmetry operations applied to quantities such as the electronic charge density, Kohn-Sham orbitals, etc, during the calculation. | ||
Latest revision as of 09:28, 30 November 2023
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 14 pages are in this category, out of 14 total.