def generate_slabs(self, film_millers, substrate_millers):
"""
Generates the film/substrate slab combinations for a set of given
miller indicies
Args:
film_millers(array): all miller indices to generate slabs for
film
substrate_millers(array): all miller indicies to generate slabs
for substrate
"""
for f in film_millers:
film_slab = SlabGenerator(self.film, f, 20, 15,
primitive=False).get_slab()
film_vectors = reduce_vectors(film_slab.lattice_vectors()[0],
film_slab.lattice_vectors()[1])
film_area = vec_area(*film_vectors)
for s in substrate_millers:
substrate_slab = SlabGenerator(self.substrate, s, 20, 15,
primitive=False).get_slab()
substrate_vectors = reduce_vectors(
substrate_slab.lattice_vectors()[0],
substrate_slab.lattice_vectors()[1])
substrate_area = vec_area(*substrate_vectors)
yield [film_area, substrate_area, film_vectors,
substrate_vectors, f, s]
def generate_slabs(self, film_millers, substrate_millers):
"""
Generates the film/substrate slab combinations for a set of given
miller indicies
Args:
film_millers(array): all miller indices to generate slabs for
film
substrate_millers(array): all miller indicies to generate slabs
for substrate
"""
for f in film_millers:
film_slab = SlabGenerator(self.film, f, 20, 15,
primitive=False).get_slab()
film_vectors = reduce_vectors(film_slab.lattice_vectors()[0],
film_slab.lattice_vectors()[1])
film_area = vec_area(*film_vectors)
for s in substrate_millers:
substrate_slab = SlabGenerator(self.substrate,
s,
20,
15,
primitive=False).get_slab()
substrate_vectors = reduce_vectors(
substrate_slab.lattice_vectors()[0],
substrate_slab.lattice_vectors()[1])
substrate_area = vec_area(*substrate_vectors)
yield [
film_area, substrate_area, film_vectors, substrate_vectors,
f, s
]
