pawpyseed.core.symmetry Namespace Reference

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)

Function Documentation

def pawpyseed.core.symmetry.get_kpt_mapping	(		allkpts,
			kpts,
			structure,
			symprec = 1e-5,
			gen_trsym = True
	)

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_symmops	(		structure,
			symprec
	)