PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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Namespaces | |
pawpyseed.core.symmetry | |
Functions | |
def | pawpyseed.core.symmetry.get_symmops (structure, symprec) |
def | pawpyseed.core.symmetry.get_nosym_kpoints (kpts, structure, init_kpts=None, symprec=1e-5, gen_trsym=True, fil_trsym=True) |
def | pawpyseed.core.symmetry.get_kpt_mapping (allkpts, kpts, structure, symprec=1e-5, gen_trsym=True) |