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