Geometry creation – part 2ΒΆ
Many geometries are intrinsically enabled via the sisl.geom
submodule.
The default geometries that may be created may easily be used.
honeycomb
(graphene unit-cell):hBN = geom.honeycomb(1.5, [Atom('B'), Atom('N')])
graphene
(equivalent tohoneycomb
with Carbon atoms):graphene = geom.graphene(1.42)
Simple, body-centered and face-centered cubic as well as HCP All have the same interface:
sc = geom.sc(2.5) bcc = geom.bcc(2.5) fcc = geom.fcc(2.5) hcp = geom.hcp(2.5)
Nanotubes with different chirality:
ntb = geom.nanotube(1.54, chirality=(n, m))
Diamond:
d = geom.diamond(3.57)