def make_2D_triangle(latconst=3.8, size=(1, 1, 1)):
"""
Make 2D triangle lattice on x-z plane.
Note that it is not x-y plane.
"""
specorder = ['Ar']
s = NAPSystem(specorder=specorder)
#...lattice
a1 = np.array([1.0, 0.0, 0.0])
a2 = np.array([0.0, 10.0, 0.0])
a3 = np.array([0.0, 0.0, np.sqrt(3.0)])
s.set_lattice(latconst, a1, a2, a3)
poss = [[0.00, 0.50, 0.00], [0.50, 0.50, 0.50]]
symbol = _default_specorder[0]
symbols = [symbol for i in range(len(poss))]
vels = [[0., 0., 0.] for i in range(len(poss))]
frcs = [[0., 0., 0.] for i in range(len(poss))]
s.add_atoms(symbols, poss, vels, frcs)
s.repeat(*size)
s.add_vacuum(2. * latconst, 0.0, 10. * latconst * np.sqrt(3))
return s
def make_2D_triangle(latconst=3.8, size=(1, 1, 1)):
"""
Make 2D triangle lattice on x-z plane.
Note that it is not x-y plane.
"""
specorder = ['Ar']
s = NAPSystem(specorder=specorder)
#...lattice
a1 = np.array([1.0, 0.0, 0.0])
a2 = np.array([0.0, 10.0, 0.0])
a3 = np.array([0.0, 0.0, np.sqrt(3.0)])
s.set_lattice(latconst, a1, a2, a3)
positions = [(0.00, 0.50, 0.00), (0.50, 0.50, 0.50)]
for p in positions:
atom = Atom()
atom.set_pos(p[0], p[1], p[2])
atom.set_symbol(specorder[0])
s.add_atom(atom)
s.repeat(*size)
s.add_vacuum(2. * latconst, 0.0, 10. * latconst * np.sqrt(3))
return s
def make_2D_triangle(latconst=3.8,size=(1,1,1)):
"""
Make 2D triangle lattice on x-z plane.
Note that it is not x-y plane.
"""
specorder = ['Ar']
s = NAPSystem(specorder=specorder)
#...lattice
a1= np.array([ 1.0, 0.0, 0.0 ])
a2= np.array([ 0.0, 10.0, 0.0 ])
a3= np.array([ 0.0, 0.0, np.sqrt(3.0) ])
s.set_lattice(latconst,a1,a2,a3)
positions=[(0.00, 0.50, 0.00),
(0.50, 0.50, 0.50)]
for p in positions:
atom= Atom()
atom.set_pos(p[0],p[1],p[2])
atom.set_symbol(specorder[0])
s.add_atom(atom)
s.repeat(*size)
s.add_vacuum(2.*latconst, 0.0, 10.*latconst*np.sqrt(3))
return s
