|
PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
|
Namespaces | |
| pawpyseed.core.symmetry | |
| Utilities related to symmetry of the crystal structure, namely finding symmetrically identical k-points and the space group operators that map between them. | |
Functions | |
| def | pawpyseed.core.symmetry.get_symmops (structure, symprec) |
| def | pawpyseed.core.symmetry.get_nosym_kpoints (kpts, structure, init_kpts=None, symprec=1e-4, gen_trsym=True, fil_trsym=True) |
| def | pawpyseed.core.symmetry.get_kpt_mapping (allkpts, kpts, structure, symprec=1e-4, gen_trsym=True) |
1.8.11